SCHEMBL13638635

SCHEMBL13638635

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3C(F)(F)F)cnc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.37
POLB P06746 1/20 0.37
BTK Q06187 1/20 0.34
WEE1 P30291 1/20 0.34
IDH1 O75874 1/20 0.33
BLM P54132 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CSF1R P07333 3/20 0.32
PDGFRA P16234 1/20 0.32
FLT4 P35916 1/20 0.32
FLT3 P36888 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPT P10636 1/20 0.32
EPHB4 P54760 1/20 0.32
CA9 Q16790 3/20 0.32
AURKA O14965 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32

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
SCHEMBL9923001 0.92 P2RY12 (0.46) P2RY12POLBWEE1TRPV1MAPT
SCHEMBL14228581 0.90 P2RY12 (0.42) P2RY12BTKWEE1BRD4CREBBP
SCHEMBL13638640 0.89 P2RY12 (0.38) P2RY12BTKBRD4CREBBPCSF1R
SCHEMBL14228650 0.88 P2RY12 (0.38) P2RY12BTKWEE1IDH1TRPV1
SCHEMBL12177675 0.84 P2RY12 (0.41) P2RY12BTKBRD4CREBBPCSF1R
SCHEMBL9923003 0.82 P2RY12 (0.46) P2RY12BTKCSF1RMAPTCA9
SCHEMBL14228651 0.82 P2RY12 (0.39) P2RY12BTKCSF1RMAPTCA9
SCHEMBL9922343 0.82 P2RY12 (0.51) P2RY12BTKCSF1RMAPT
SCHEMBL9923194 0.81 P2RY12 (0.47) P2RY12CSF1RMAPTCA9CA12
SCHEMBL9923006 0.81 P2RY12 (0.46) P2RY12WEE1TRPV1CSF1RMAPT

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