SCHEMBL4831753

SCHEMBL4831753

Cc1cccc(C(O)CNc2ccnc(Nc3ccc(Cl)cc3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 1/20 0.49
CDK4 P11802 6/20 0.46
CDK2 P24941 6/20 0.46
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PLK1 P53350 2/20 0.43
FAAH O00519 2/20 0.43
AURKA O14965 2/20 0.43
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
EGFR P00533 1/20 0.42
MAPK8 P45983 2/20 0.42
AURKB Q96GD4 2/20 0.42
KDR P35968 2/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 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
SCHEMBL4726177 0.93 CDK2 (0.47) CDK4CDK2PLK1FAAHAURKA
SCHEMBL4801761 0.91 CDK2 (0.50) CDK4CDK2PIK3CAPIK3CBPIK3CG
SCHEMBL4725761 0.90 AURKA (0.51) CDK4CDK2PLK1FAAHAURKA
SCHEMBL4727456 0.89 AURKA (0.52) CDK2PIK3CAPIK3CBPIK3CGPLK1
SCHEMBL14293018 0.88 ALDH1A1 (0.54) CDK4CDK2PIK3CAPIK3CBPIK3CG
SCHEMBL4838019 0.88 STK17A (0.49) STK17ACDK4CDK2PLK1FAAH
SCHEMBL14292059 0.87 EGFR (0.52) STK17ACDK4CDK2PIK3CAPIK3CB
SCHEMBL4880977 0.85 AURKA (0.54) STK17ACDK4CDK2FAAHAURKA
SCHEMBL4797527 0.84 AURKA (0.49) CDK4CDK2FAAHAURKAMAPK8
SCHEMBL14293019 0.84 KDR (0.44) CDK4CDK2PLK1FAAHAURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed