SCHEMBL8970458

SCHEMBL8970458

Nc1ncc(-c2c[nH]c3ccccc23)cc1C(=O)c1cccc(N2CCCCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.51
TBK1 Q9UHD2 1/20 0.51
PRKCQ Q04759 13/20 0.48
PRKCA P17252 2/20 0.48
PRKCD Q05655 2/20 0.48
PIM1 P11309 2/20 0.42
PIM3 Q86V86 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.41
TDO2 P48775 1/20 0.39
HSD11B1 P28845 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
SCHEMBL8965159 0.92 PRKCQ (0.60) IKBKETBK1PRKCQPRKCAPRKCD
SCHEMBL8965416 0.92 PRKCQ (0.57) IKBKETBK1PRKCQPRKCAPRKCD
SCHEMBL8966014 0.84 PRKCQ (0.64) IKBKETBK1PRKCQPRKCAPRKCD
SCHEMBL8965504 0.83 PIM2 (0.49) IKBKETBK1PRKCQPRKCAPRKCD
SCHEMBL8969820 0.83 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14HSD11B1
SCHEMBL8970484 0.82 PRKCQ (0.46) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970302 0.82 TBK1 (0.51) TBK1PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970529 0.81 PRKCQ (0.49) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970315 0.81 PRKCQ (0.52) IKBKETBK1PRKCQPRKCAPRKCD
SCHEMBL8970438 0.81 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD17B14HSD11B1

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