SCHEMBL8970484

SCHEMBL8970484

Nc1ncc(-c2csc3ccccc23)cc1C(=O)c1cccc(N2CCCCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 14/20 0.46
PRKCA P17252 2/20 0.46
PRKCD Q05655 2/20 0.46
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 1/20 0.38
HTR7 P34969 1/20 0.38
CHEK1 O14757 1/20 0.37

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
SCHEMBL8965351 0.92 PRKCQ (0.59) PRKCQPRKCAPRKCDCHEK1
SCHEMBL8965982 0.83 PRKCQ (0.63) PRKCQPRKCAPRKCDCHEK1
SCHEMBL8969820 0.83 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970458 0.82 IKBKE (0.51) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970529 0.81 PRKCQ (0.49) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970312 0.81 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14CHEK1
SCHEMBL8970354 0.80 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970311 0.79 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970308 0.79 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970438 0.79 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