SCHEMBL9946998

SCHEMBL9946998

Cc1nnc(CN(C)C)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
ADRB2 P07550 1/20 0.33
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CDC7 O00311 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
ROCK1 Q13464 2/20 0.31
DBF4 Q9UBU7 2/20 0.31
MAPK14 Q16539 1/20 0.30

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
SCHEMBL19914245 0.73 HSD17B10 (0.33) HSD17B10
SCHEMBL24925793 0.69
SCHEMBL3931468 0.65
SCHEMBL17790242 0.65
SCHEMBL18105273 0.65
SCHEMBL21386228 0.63
SCHEMBL24929593 0.63
SCHEMBL23328622 0.62
SCHEMBL23367738 0.62 CACNA1H (0.34)
SCHEMBL21307369 0.62 AAK1 (0.34)

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-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed