SCHEMBL5384156

SCHEMBL5384156

CN(C)c1nc(=O)cc(-c2ccncc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 14/20 0.44
GSK3B P49841 2/20 0.41
PKN1 Q16512 2/20 0.40
PKN2 Q16513 2/20 0.40
CDK9 P50750 2/20 0.40
CLK1 P49759 1/20 0.40
PLK4 O00444 1/20 0.40
MAPK13 O15264 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
RPS6KA4 O75676 1/20 0.40
PRKD3 O94806 1/20 0.40
CHEK2 O96017 1/20 0.40
CDK1 P06493 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5386893 0.83 ALOX15 (0.44) CDC7GSK3BPKN1PKN2CDK9
SCHEMBL5382536 0.82 CYP19A1 (0.52) PKN2CLK2DYRK1A
SCHEMBL5387918 0.82 GSK3B (0.41) CDC7GSK3BPKN1PKN2CLK1
SCHEMBL5379882 0.81 MAPT (0.47) CDC7GSK3BGCGRMAPK14
SCHEMBL5391510 0.80 FABP4 (0.53) CDC7GSK3B
SCHEMBL5377972 0.78 GSK3B (0.56) CDC7GSK3BPKN1PKN2CDK9
SCHEMBL5391770 0.77 CDC7 (0.48) CDC7GSK3BPKN1PKN2CDK2
SCHEMBL5400617 0.77 CDC7 (0.45) CDC7GSK3BCDK2GCGRMAPK14
SCHEMBL5377577 0.76 CDC7 (0.49) CDC7GSK3BPKN1PKN2CDK9
SCHEMBL5380512 0.75 GSK3B (0.51) CDC7GSK3B

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
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