SCHEMBL8970529

SCHEMBL8970529

Cn1cc(-c2cnc(N)c(C(=O)c3cccc(N4CCCCCC4)n3)c2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 14/20 0.49
PRKCA P17252 2/20 0.45
PRKCD Q05655 2/20 0.45
HSD17B14 Q9BPX1 1/20 0.40
JAK2 O60674 1/20 0.39

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
SCHEMBL8965476 0.92 PRKCQ (0.58) PRKCQPRKCAPRKCD
SCHEMBL8969820 0.82 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970484 0.81 PRKCQ (0.46) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970458 0.81 IKBKE (0.51) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8969842 0.80 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970354 0.79 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970341 0.79 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970311 0.78 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970308 0.78 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970538 0.78 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14

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