SCHEMBL8970240

SCHEMBL8970240

Nc1ncc(C2CC2)cc1C(=O)c1cccc(N2CCCCCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 16/20 0.55
PRKCA P17252 2/20 0.53
PRKCD Q05655 2/20 0.53
HSD11B1 P28845 3/20 0.47
HSD17B14 Q9BPX1 1/20 0.47

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
SCHEMBL9008587 0.90 PRKCQ (0.68) PRKCQPRKCAPRKCD
SCHEMBL8965113 0.84 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD11B1HSD17B14
SCHEMBL8970438 0.84 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD11B1HSD17B14
SCHEMBL8970237 0.84 PRKCQ (0.58) PRKCQPRKCAPRKCDHSD11B1HSD17B14
SCHEMBL8969734 0.84 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD11B1HSD17B14
SCHEMBL8970354 0.83 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD11B1HSD17B14
SCHEMBL8970308 0.82 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD11B1HSD17B14
SCHEMBL8969820 0.82 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD11B1HSD17B14
SCHEMBL8970009 0.81 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD11B1HSD17B14
SCHEMBL8970017 0.81 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD11B1HSD17B14

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