SCHEMBL4435840

SCHEMBL4435840

Nc1ncccc1C(=O)c1cccc(N(Cc2ccccc2)C2CCNCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 18/20 0.52
PRKCA P17252 3/20 0.52
PRKCD Q05655 3/20 0.52
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43

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
SCHEMBL8965901 0.75 PRKCQ (0.61) PRKCQPRKCAPRKCD
SCHEMBL9009726 0.74 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL8966905 0.72 PRKCQ (0.58) PRKCQPRKCAPRKCD
SCHEMBL11996535 0.69 PRKCQ (0.43) PRKCQPRKCAPRKCD
SCHEMBL8965171 0.69 PRKCQ (1.00) PRKCQPRKCAPRKCD
SCHEMBL8965220 0.68 PRKCQ (0.52) PRKCQPRKCAPRKCD
SCHEMBL8965885 0.67 PRKCQ (0.75) PRKCQPRKCAPRKCD
SCHEMBL8965501 0.67 PRKCQ (0.75) PRKCQPRKCAPRKCD
SCHEMBL17506337 0.67 NAPRT (0.41) PRKCQPRKCAPRKCDSLC6A2SLC6A4
SCHEMBL1479523 0.67 HRH3 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121613-A2 2-AMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
WO-2008094992-A2 2-AMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-07 WO disclosed