SCHEMBL14387888

SCHEMBL14387888

CCNc1cc2ccn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(CI)s4)cc3)c(=O)c2cc1F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.45
MET P08581 1/20 0.34
AXL P30530 1/20 0.34
NOD1 Q9Y239 1/20 0.33
GRM1 Q13255 4/20 0.31
F10 P00742 2/20 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
SCHEMBL4689679 0.90 P2RY12 (0.56) P2RY12METAXLGRM1F10
SCHEMBL14357250 0.87 P2RY12 (0.52) P2RY12METAXLNOD1GRM1
SCHEMBL14357216 0.86 P2RY12 (0.54) P2RY12NOD1GRM1F10
SCHEMBL14388082 0.84 P2RY12 (0.48) P2RY12NOD1GRM1
SCHEMBL14388191 0.84 P2RY12 (0.46) P2RY12NOD1GRM1F10
SCHEMBL14388089 0.83 P2RY12 (0.44) P2RY12NOD1GRM1
SCHEMBL4686069 0.83 P2RY12 (0.42) P2RY12METAXLNOD1
SCHEMBL4681454 0.82 P2RY12 (0.43) P2RY12METAXLNOD1
SCHEMBL14387889 0.82 P2RY12 (0.44) P2RY12NOD1GRM1F10
SCHEMBL14388093 0.82 P2RY12 (0.46) P2RY12NOD1GRM1

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-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed