SCHEMBL7996467

SCHEMBL7996467

O=c1cc(-c2ccncc2)[nH]c(N2CCN(c3cccc4c3NCC4)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 8/20 0.38
▸ PKN2 Q16513 3/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ CDK5 Q00535 2/20 0.38
▸ PKN1 Q16512 2/20 0.38
▸ MAPKAPK2 P49137 2/20 0.38
▸ AKT1 P31749 2/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ RPS6KA5 O75582 1/20 0.38
▸ RPS6KA4 O75676 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ CDK2 P24941 1/20 0.38

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
SCHEMBL5386406 0.77 HSD17B10 (0.45) CDC7PKN2CDK9CDK5PKN1
SCHEMBL7447432 0.76 HSD17B10 (0.47) CDC7PKN2CDK9CDK5PKN1
SCHEMBL5381026 0.74 AR (0.44) CDC7CDK2GSK3B
SCHEMBL7978699 0.73 MAPT (0.52) CDC7MAPK1
SCHEMBL7992869 0.72 HTR3A (0.38) CDC7CDK5MAPK1GSK3BPRKCQ
SCHEMBL7989788 0.72 ALDH1A1 (0.58) MAPK1TNKS2TNKSPARP10PARP2
SCHEMBL7990353 0.71 KDM4E (0.52) MAPK1
SCHEMBL7978522 0.71 — —
SCHEMBL7989638 0.71 F10 (0.38) CDC7PKN2CDK9CDK5PKN1
SCHEMBL7989734 0.71 HTR1A (0.50) —

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-2001070728-A1 2-[NITROGEN-HETEROCYCLIC]PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 — — WO claimed
WO-2001070728-A1 2-[NITROGEN-HETEROCYCLIC]PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 — — WO disclosed
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