SCHEMBL13638714

SCHEMBL13638714

CNc1cc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3F)c(=O)c2cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.46
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 6/20 0.34
KIT P10721 1/20 0.34
MET P08581 3/20 0.33
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CA1 P00915 2/20 0.33
BTK Q06187 1/20 0.32
CA2 P00918 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
FBP1 P09467 1/20 0.31
WEE1 P30291 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
SCHEMBL9922945 0.93 P2RY12 (0.54) P2RY12MEN1KMT2AMAPK14MET
SCHEMBL14228581 0.90 P2RY12 (0.42) P2RY12MEN1KMT2AMAPK14KIT
SCHEMBL12177089 0.86 MEN1 (0.41) P2RY12MEN1KMT2AMAPK14KIT
SCHEMBL9922733 0.86 P2RY12 (0.50) P2RY12MEN1KMT2AMAPK14FBP1
SCHEMBL9922943 0.85 P2RY12 (0.52) P2RY12MEN1KMT2AMAPK14MET
SCHEMBL14113621 0.85 P2RY12 (0.52) P2RY12MEN1KMT2AMAPK14MET
SCHEMBL9922343 0.85 P2RY12 (0.51) P2RY12MEN1KMT2AMETBTK
SCHEMBL12177090 0.85 MAPK14 (0.38) P2RY12MEN1KMT2AMAPK14KIT
SCHEMBL9923187 0.84 P2RY12 (0.37) P2RY12MEN1KMT2AMAPK14KIT
SCHEMBL9923183 0.84 P2RY12 (0.38) P2RY12MEN1KMT2AMAPK14KIT

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