SCHEMBL5377972

SCHEMBL5377972

Cc1nc(=O)cc(-c2ccncc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
CDC7 O00311 13/20 0.48
DBF4 Q9UBU7 1/20 0.48
PKN1 Q16512 2/20 0.43
PKN2 Q16513 2/20 0.43
CDK9 P50750 2/20 0.43
CLK1 P49759 1/20 0.43
PLK4 O00444 1/20 0.43
MAPK13 O15264 1/20 0.43
DAPK3 O43293 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
RPS6KA5 O75582 1/20 0.43
RPS6KA4 O75676 1/20 0.43
PRKD3 O94806 1/20 0.43
CHEK2 O96017 1/20 0.43
CDK1 P06493 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL5400044 0.80 CYP2A6 (0.59) PKN2
SCHEMBL5377577 0.80 CDC7 (0.49) GSK3BCDC7PKN1PKN2CDK9
SCHEMBL5381095 0.79 CDC7 (0.47) GSK3BCDC7PKN1PKN2CDK9
SCHEMBL5399975 0.78 CDC7 (0.48) GSK3BCDC7PKN1PKN2CDK9
SCHEMBL5038081 0.78 MAPK14 (0.44) GSK3BCDC7PKN1PKN2CDK9
SCHEMBL5377688 0.78 GSK3B (0.59) GSK3BCDC7PKN1PKN2CDK9
SCHEMBL5384156 0.78 CDC7 (0.44) GSK3BCDC7PKN1PKN2CDK9
SCHEMBL5380512 0.76 GSK3B (0.51) GSK3BCDC7PDE3BPDE3A
SCHEMBL5378011 0.76 TEK (0.47) CDC7
SCHEMBL5383550 0.76 CDC7 (0.53) CDC7CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP disclosed
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP disclosed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 WO disclosed