SCHEMBL7989638

SCHEMBL7989638

O=c1cc(-c2ccncc2)[nH]c(N2CCN(c3cccc4nccn34)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.38
▸ CDC7 O00311 8/20 0.34
▸ PRKACA P17612 2/20 0.32
▸ CDK8 P49336 2/20 0.32
▸ ACVR1 Q04771 2/20 0.32
▸ MAP4K2 Q12851 2/20 0.32
▸ ROCK1 Q13464 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ DYRK1B Q9Y463 2/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ MGLL Q99685 2/20 0.32
▸ PKN1 Q16512 2/20 0.31
▸ PKN2 Q16513 2/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ PLK4 O00444 1/20 0.31

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) CDC7PRKACACDK8ACVR1MAP4K2
SCHEMBL7978699 0.76 MAPT (0.52) CDC7MAPK1HSD17B10MAPT
SCHEMBL7447432 0.76 HSD17B10 (0.47) CDC7PRKACACDK8ACVR1MAP4K2
SCHEMBL5381026 0.74 AR (0.44) CDC7CDK2GSK3BHSD17B10MAPT
SCHEMBL7978276 0.72 HRH4 (0.49) —
SCHEMBL7989788 0.72 ALDH1A1 (0.58) MAPK1PARP1HSD17B10MAPT
SCHEMBL7990353 0.71 KDM4E (0.52) MAPK1HSD17B10
SCHEMBL7996467 0.71 CDC7 (0.38) CDC7PRKACACDK8ACVR1MAP4K2
SCHEMBL7978522 0.71 — —
SCHEMBL7989669 0.69 KCNH2 (0.35) CDC7PARP1

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