SCHEMBL8969734

SCHEMBL8969734

Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCCCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 17/20 0.55
PRKCA P17252 2/20 0.55
PRKCD Q05655 2/20 0.55
HSD17B14 Q9BPX1 1/20 0.49
HSD11B1 P28845 2/20 0.45

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
SCHEMBL8965113 1.00 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL9011525 0.90 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD11B1
SCHEMBL1479328 0.90 PRKCQ (0.71) PRKCQPRKCAPRKCD
SCHEMBL8970028 0.90 PRKCQ (0.71) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8965294 0.89 PRKCQ (0.69) PRKCQPRKCAPRKCD
SCHEMBL9011442 0.89 PRKCQ (0.54) PRKCQPRKCAPRKCD
SCHEMBL8964756 0.88 PRKCQ (0.70) PRKCQPRKCAPRKCD
SCHEMBL11993721 0.87 PRKCQ (0.48) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8970151 0.87 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL8970076 0.87 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD17B14

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-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed