SCHEMBL13638698

SCHEMBL13638698

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cn3)cc(C(=O)NCCN3CCCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.39
EPHX2 P34913 2/20 0.36
JAK2 O60674 4/20 0.35
JAK3 P52333 2/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
POLR1A O95602 1/20 0.34
DNMT1 P26358 4/20 0.34
DNMT3L Q9UJW3 4/20 0.34
DNMT3A Q9Y6K1 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR3A P46098 1/20 0.33
ATM Q13315 1/20 0.33
CCR2 P41597 2/20 0.33
EHMT2 Q96KQ7 1/20 0.33

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
SCHEMBL9923110 0.94 P2RY12 (0.38) KITEPHX2JAK2JAK3JAK1
SCHEMBL9922865 0.93 EPHX2 (0.38) KITEPHX2JAK2JAK3JAK1
SCHEMBL12177207 0.90 EPHX2 (0.41) EPHX2HRH3POLR1ANPSR1HTR3A
SCHEMBL9922047 0.88 RPS6KB1 (0.35) JAK2JAK3JAK1TYK2POLR1A
SCHEMBL9923107 0.88 EPHX2 (0.40) EPHX2JAK2JAK3JAK1TYK2
SCHEMBL9922222 0.88 EPHX2 (0.40) EPHX2JAK2JAK3JAK1TYK2
SCHEMBL12177281 0.86 EPHX2 (0.43) KITEPHX2HRH3POLR1ANPSR1
SCHEMBL9922264 0.84 P2RY12 (0.45) EPHX2HTR3A
SCHEMBL12177178 0.84 EPHX2 (0.43) EPHX2
SCHEMBL9922051 0.83 P2RY12 (0.38) KIT

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