SCHEMBL8970017

SCHEMBL8970017

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 17/20 0.55
PRKCA P17252 3/20 0.53
PRKCD Q05655 3/20 0.53
HSD17B14 Q9BPX1 1/20 0.47
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
SCHEMBL8970152 0.91 PRKCQ (0.69) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL9013152 0.90 PRKCQ (0.68) PRKCQPRKCAPRKCD
SCHEMBL8965423 0.90 PRKCQ (0.66) PRKCQPRKCAPRKCD
SCHEMBL8964990 0.89 PRKCQ (0.66) PRKCQPRKCAPRKCD
SCHEMBL8970227 0.89 PRKCQ (0.53) PRKCQPRKCAPRKCD
SCHEMBL8970383 0.88 PRKCQ (0.51) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8970448 0.88 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL1481443 0.85 PRKCQ (0.48) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970047 0.85 CKS1B (0.51) PRKCQPRKCAPRKCD
SCHEMBL8970210 0.84 PRKCQ (0.49) 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