SCHEMBL10125762

SCHEMBL10125762

NCc1ccc(C(F)(F)F)cc1CCc1ccnc(Nc2ccc3c(c2)CC(=O)N3)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 10/20 0.51
KIF11 P52732 4/20 0.49
PTK2 Q05397 12/20 0.48
ULK1 O75385 2/20 0.45
GABRA1 P14867 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
PLK1 P53350 1/20 0.43
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
STK16 O75716 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 1/20 0.42
NTRK1 P04629 1/20 0.42
PRKCG P05129 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10125760 0.97 PTK2B (0.51) PTK2BKIF11PTK2ULK1GABRA1
SCHEMBL15023744 0.89 PTK2B (0.49) PTK2BKIF11PTK2ULK1GABRA1
SCHEMBL669843 0.88 PTK2B (0.49) PTK2BKIF11PTK2ULK1GABRA1
SCHEMBL10125381 0.86 PTK2B (0.47) PTK2BKIF11PTK2ULK1GABRA1
SCHEMBL15023735 0.83 PTK2B (0.46) PTK2BKIF11PTK2ULK1GABRA1
SCHEMBL669800 0.83 PTK2B (0.46) PTK2BKIF11PTK2ULK1GABRA1
SCHEMBL10125445 0.78 PTK2 (0.46) PTK2BPTK2GABRA1TMEM97PLK1
SCHEMBL668635 0.76 PTK2 (0.46) PTK2BPTK2GABRA1TMEM97PLK1
SCHEMBL670533 0.76 PTK2 (0.53) PTK2BPTK2PLK4AURKAPDPK1
SCHEMBL10125447 0.74 PTK2 (0.58) PTK2BPTK2PLK4AURKAPDPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012022408-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2012-02-23 WO disclosed