SCHEMBL8970353

SCHEMBL8970353

COc1ccc(-c2cnc(N)c(C(=O)c3cccc(N4CCCCCC4)n3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 10/20 0.51
PRKCA P17252 2/20 0.48
PRKCD Q05655 2/20 0.48
CHRNA7 P36544 1/20 0.46
CNR1 P21554 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
PARP1 P09874 1/20 0.44
TGFBR1 P36897 2/20 0.44
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
HSD17B14 Q9BPX1 1/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8970228 0.91 PRKCQ (0.50) PRKCQPRKCAPRKCDCNR1ALDH1A1
SCHEMBL9011048 0.91 PRKCQ (0.62) PRKCQPRKCAPRKCDCHRNA7TGFBR1
SCHEMBL8969842 0.89 PRKCQ (0.53) PRKCQPRKCAPRKCDCHRNA7CNR1
SCHEMBL8970354 0.89 PRKCQ (0.53) PRKCQPRKCAPRKCDTGFBR1BMPR1B
SCHEMBL8970311 0.88 PRKCQ (0.52) PRKCQPRKCAPRKCDTGFBR1BMPR1B
SCHEMBL8969820 0.88 PRKCQ (0.53) PRKCQPRKCAPRKCDCNR1TGFBR1
SCHEMBL8970341 0.84 PRKCQ (0.52) PRKCQPRKCAPRKCDTGFBR1BMPR1B
SCHEMBL8970308 0.84 PRKCQ (0.52) PRKCQPRKCAPRKCDTGFBR1BMPR1B
SCHEMBL8970317 0.83 PRKCQ (0.51) PRKCQPRKCAPRKCDTGFBR1BMPR1B
SCHEMBL9010981 0.83 PRKCQ (0.61) PRKCQPRKCAPRKCDTGFBR1ACVR1

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