SCHEMBL8970504

SCHEMBL8970504

Cc1ccc(N2CCCCCC2)nc1C(=O)c1cccnc1N

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 20/20 0.56
PRKCA P17252 8/20 0.53
PRKCD Q05655 8/20 0.53
PRKCB P05771 1/20 0.47
FLT3 P36888 1/20 0.47
PRKCE Q02156 1/20 0.47

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
SCHEMBL11993703 1.00 PRKCQ (0.56) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL8965474 0.89 PRKCQ (0.70) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL8965771 0.89 PRKCQ (0.67) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL11993712 0.86 PRKCQ (0.56) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL8970582 0.86 PRKCQ (0.60) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL11993707 0.86 PRKCQ (0.60) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL11993719 0.85 PRKCQ (0.62) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL11993717 0.84 PRKCQ (0.52) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL11993718 0.84 PRKCQ (0.52) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL11993716 0.84 PRKCQ (0.52) PRKCQPRKCAPRKCDPRKCBFLT3

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