SCHEMBL8969919

SCHEMBL8969919

Cc1cnc(N)c(C(=O)c2cccc(N3CCCN(Cc4ccccc4)CC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 11/20 0.52
HRH3 Q9Y5N1 1/20 0.48
PRKCA P17252 2/20 0.46
PRKCD Q05655 2/20 0.46
CASP1 P29466 2/20 0.43
CASP5 P51878 2/20 0.43
CASP4 P49662 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD11B1 P28845 1/20 0.42
SCN9A Q15858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9008398 0.89 PRKCQ (0.50) PRKCQHRH3PRKCAPRKCDCASP1
SCHEMBL8970038 0.87 PRKCQ (0.56) PRKCQPRKCAPRKCD
SCHEMBL8970304 0.85 PRKCQ (0.69) PRKCQHRH3PRKCAPRKCD
SCHEMBL8970237 0.85 PRKCQ (0.58) PRKCQPRKCAPRKCDHSD11B1
SCHEMBL11993693 0.83 PRKCQ (0.52) PRKCQPRKCAPRKCD
SCHEMBL13857136 0.81 PRKCQ (0.56) PRKCQHRH3PRKCAPRKCDCASP1
SCHEMBL8970022 0.81 PRKCQ (0.51) PRKCQHRH3PRKCAPRKCDCASP1
SCHEMBL8969935 0.80 PRKCQ (0.54) PRKCQHRH3PRKCAPRKCD
SCHEMBL11993696 0.80 PRKCQ (0.49) PRKCQPRKCAPRKCDALDH1A1
SCHEMBL8185355 0.79 PRKCQ (0.71) 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