SCHEMBL8970302

SCHEMBL8970302

Nc1ncc(-c2cc3ccccc3[nH]2)cc1C(=O)c1cccc(N2CCCCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.51
PRKCQ Q04759 15/20 0.49
PRKCA P17252 2/20 0.49
PRKCD Q05655 2/20 0.49
PLAU P00749 2/20 0.44
HSD17B14 Q9BPX1 1/20 0.42
HPN P05981 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
KDR P35968 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
SCHEMBL8965024 0.92 PRKCQ (0.61) TBK1PRKCQPRKCAPRKCD
SCHEMBL8970315 0.85 PRKCQ (0.52) TBK1PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8969820 0.84 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8965965 0.83 PRKCQ (0.66) TBK1PRKCQPRKCAPRKCD
SCHEMBL8970458 0.82 IKBKE (0.51) TBK1PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970354 0.81 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970308 0.81 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970311 0.81 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970538 0.80 PRKCQ (0.52) TBK1PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970438 0.80 PRKCQ (0.55) 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