SCHEMBL8970446

SCHEMBL8970446

Nc1ncccc1C(=O)c1ccc(Cl)c(N2CCCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 18/20 0.53
PRKCA P17252 3/20 0.53
PRKCD Q05655 3/20 0.53
GRM5 P41594 1/20 0.46

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
SCHEMBL8965800 0.89 PRKCQ (0.70) PRKCQPRKCAPRKCD
SCHEMBL8970422 0.86 PRKCQ (0.56) PRKCQPRKCAPRKCD
SCHEMBL11993705 0.86 PRKCQ (0.56) PRKCQPRKCAPRKCD
SCHEMBL11993698 0.80 PRKCQ (0.79) PRKCQPRKCAPRKCD
SCHEMBL8970582 0.79 PRKCQ (0.60) PRKCQPRKCAPRKCDGRM5
SCHEMBL11993707 0.79 PRKCQ (0.60) PRKCQPRKCAPRKCDGRM5
SCHEMBL8965670 0.76 PRKCQ (0.70) PRKCQPRKCAPRKCD
SCHEMBL8965751 0.75 PRKCQ (0.67) PRKCQPRKCAPRKCD
SCHEMBL8970209 0.74 PRKCQ (0.62) PRKCQPRKCAPRKCD
SCHEMBL8179345 0.70 PRKCQ (0.64) 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