Table 1 Top scoring FAK-p53 targeting compounds: R compounds

1

R1

5754

C14H14O3

230

2-(3-methylbutanoyl)-1H-indene-1,3(2H)-dione

2

R2

10408

C13H19N4

231

1-benzyl-15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane

3

R3

32237

C14H18BrN4O

338

1-(4-bromophenyl)-2-(15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

4

R4

32895

C14H18ClN4O

294

1-(4-chlorophenyl)-2-(15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

5

R5

33450

C14H17Cl2N4O

328

1-(2,4-dichlorophenyl)-2-(15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

6

R6

34564

C14H18IN4O

385

1-(4-iodophenyl)-2-(15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

7

R7

34740

C15H21N4O2

289

1-(4-methoxyphenyl)-2-(15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

8

R8

35024

C14H19IN5O

400

1-(4-iodophenyl)-2-(15,3,5,7-tetraazatricyclo [3.3.1.1~3,7~]dec-1-yl)ethanone oxime

9

R9

35450

C20H23N4O

335

1-[1,1′-biphenyl]-4-yl-2-(15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

10

R10

36400

C18H21N4O

309

1-(2-naphthyl)-2-(15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

11

R11

36791

C18H25N4O

313

2-(15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)-1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone

12

R12

80640

C13H18BrN4

310

1-(4-bromobenzyl)-15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane

13

R13

141562

C17H22N5

296

1-((2-methyl-3-quinolinyl)methyl)-15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane

14

R14

155877

C13H16Cl3N4

334

1-(2,4,5-trichlorobenzyl)-15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane

15

R15

168615

C9H15Br2N4

339

1-(2,3-dibromo-2-propenyl)-15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane

16

R16

254980

C10H24N4

200

3,6-dibutyl-1,2,4,5-tetraazinane

17

R17

281702

C12H24N4

224

N-butyl-N-methyl-1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-amine

18

R18

281707

C14H28N4

252

N-hexyl-N-methyl-1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-amine

19

R19

407323

C18H21N4O

309

1-(1-naphthyl)-2-(15,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone