SCHEMBL8970237

SCHEMBL8970237

Cc1cnc(N)c(C(=O)c2cccc(N3CCCCCC3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 15/20 0.58
PRKCA P17252 2/20 0.55
PRKCD Q05655 2/20 0.55
HSD17B14 Q9BPX1 1/20 0.49
HSD11B1 P28845 3/20 0.47
SCN10A Q9Y5Y9 1/20 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
SCHEMBL8185355 0.90 PRKCQ (0.71) PRKCQPRKCAPRKCD
SCHEMBL8969842 0.88 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970341 0.87 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL11993695 0.87 PRKCQ (0.52) PRKCQPRKCAPRKCD
SCHEMBL8970438 0.86 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8969734 0.86 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8965113 0.86 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8969935 0.86 PRKCQ (0.54) PRKCQPRKCAPRKCD
SCHEMBL8970038 0.86 PRKCQ (0.56) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970009 0.86 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD17B14HSD11B1

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