SCHEMBL8969842

SCHEMBL8969842

Cc1ccc(-c2cnc(N)c(C(=O)c3cccc(N4CCCCCC4)n3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 15/20 0.53
PRKCA P17252 2/20 0.51
PRKCD Q05655 2/20 0.51
BMPR1B O00238 1/20 0.46
BMPR1A P36894 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46
HSD17B14 Q9BPX1 1/20 0.45
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
CHRNA7 P36544 1/20 0.45
CNR1 P21554 1/20 0.42

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
SCHEMBL8970354 0.92 PRKCQ (0.53) PRKCQPRKCAPRKCDBMPR1BBMPR1A
SCHEMBL8970341 0.91 PRKCQ (0.52) PRKCQPRKCAPRKCDBMPR1BBMPR1A
SCHEMBL8970311 0.91 PRKCQ (0.52) PRKCQPRKCAPRKCDBMPR1BBMPR1A
SCHEMBL8969820 0.91 PRKCQ (0.53) PRKCQPRKCAPRKCDBMPR1BBMPR1A
SCHEMBL9013062 0.91 PRKCQ (0.66) PRKCQPRKCAPRKCDIKBKETBK1
SCHEMBL9015255 0.90 PRKCQ (0.52) PRKCQPRKCAPRKCDIKBKETBK1
SCHEMBL8970353 0.89 PRKCQ (0.51) PRKCQPRKCAPRKCDBMPR1BBMPR1A
SCHEMBL8970237 0.88 PRKCQ (0.58) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970308 0.87 PRKCQ (0.52) PRKCQPRKCAPRKCDBMPR1BBMPR1A
SCHEMBL8970317 0.86 PRKCQ (0.51) PRKCQPRKCAPRKCDBMPR1BBMPR1A

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