SCHEMBL8970210

SCHEMBL8970210

C=Cc1cnc(N)c(C(=O)c2cccc(N3CCCN(C(=O)CC(C)(F)F)CC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 16/20 0.49
PRKCA P17252 3/20 0.43
PRKCD Q05655 3/20 0.43
HRH4 Q9H3N8 1/20 0.37
HSD17B14 Q9BPX1 1/20 0.36
SMO Q99835 1/20 0.36
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35

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
SCHEMBL1481443 0.93 PRKCQ (0.48) PRKCQPRKCAPRKCDHRH4HSD17B14
SCHEMBL8970034 0.89 PRKCQ (0.49) PRKCQPRKCAPRKCDHRH4
SCHEMBL8970047 0.86 CKS1B (0.51) PRKCQPRKCAPRKCD
SCHEMBL13857202 0.85 PRKCQ (0.42) PRKCQPRKCAPRKCDHRH4HSD17B14
SCHEMBL8970017 0.84 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970152 0.83 PRKCQ (0.69) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL1481470 0.82 PRKCQ (0.49) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL11993701 0.82 PRKCQ (0.63) PRKCQPRKCAPRKCDSMO
SCHEMBL8970227 0.81 PRKCQ (0.53) PRKCQPRKCAPRKCD
SCHEMBL9013152 0.79 PRKCQ (0.68) PRKCQPRKCAPRKCD

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