SCHEMBL13638707

SCHEMBL13638707

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)nn3)c(=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.54
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
KIT P10721 2/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
TP53 P04637 2/20 0.32
FBP1 P09467 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
SCHEMBL9923172 0.93 P2RY12 (0.62) P2RY12ERCC1FEN1ERCC4KIT
SCHEMBL9922541 0.90 P2RY12 (0.52) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9922446 0.89 P2RY12 (0.53) P2RY12ERCC1FEN1ERCC4KIT
SCHEMBL14228361 0.89 P2RY12 (0.53) P2RY12ERCC1FEN1ERCC4CREBBP
SCHEMBL12161655 0.88 P2RY12 (0.54) P2RY12ERCC1FEN1ERCC4KIT
SCHEMBL9922989 0.88 P2RY12 (0.48) P2RY12ERCC1FEN1ERCC4BRD4
SCHEMBL12177346 0.87 P2RY12 (0.46) P2RY12ERCC1FEN1ERCC4KIT
SCHEMBL9923019 0.86 P2RY12 (0.65) P2RY12ERCC1FEN1ERCC4BRD4
SCHEMBL12177347 0.84 P2RY12 (0.54) P2RY12ERCC1FEN1ERCC4KIT
SCHEMBL9922330 0.84 P2RY12 (0.62) P2RY12ERCC1FEN1ERCC4KIT

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
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed