SCHEMBL8970199

SCHEMBL8970199

Nc1ncc(C2=CCCCC2)cc1C(=O)c1cccc(N2CCCCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 16/20 0.48
PRKCA P17252 2/20 0.48
PRKCD Q05655 2/20 0.48
HSD17B14 Q9BPX1 1/20 0.43
HSD11B1 P28845 2/20 0.39
FFAR2 O15552 1/20 0.39

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
SCHEMBL9008451 0.91 PRKCQ (0.62) PRKCQPRKCAPRKCD
SCHEMBL8969820 0.84 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8970354 0.83 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8970315 0.82 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8970311 0.82 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8970308 0.82 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8969842 0.81 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970317 0.81 PRKCQ (0.51) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8970341 0.80 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8970007 0.80 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