SCHEMBL8970228

SCHEMBL8970228

COc1cccc(-c2cnc(N)c(C(=O)c3cccc(N4CCCCCC4)n3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.50
PRKCA P17252 2/20 0.48
PRKCD Q05655 2/20 0.48
CHEK2 O96017 1/20 0.46
NEK2 P51955 1/20 0.45
FYN P06241 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
HSD17B14 Q9BPX1 1/20 0.42
CNR1 P21554 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 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
SCHEMBL8970353 0.91 PRKCQ (0.51) PRKCQPRKCAPRKCDCHEK2TGFBR1
SCHEMBL9010981 0.91 PRKCQ (0.61) PRKCQPRKCAPRKCDCHEK2NEK2
SCHEMBL8970341 0.87 PRKCQ (0.52) PRKCQPRKCAPRKCDTGFBR1ACVR1
SCHEMBL8970308 0.87 PRKCQ (0.52) PRKCQPRKCAPRKCDTGFBR1ACVR1
SCHEMBL8969820 0.87 PRKCQ (0.53) PRKCQPRKCAPRKCDTGFBR1ACVR1
SCHEMBL8970317 0.86 PRKCQ (0.51) PRKCQPRKCAPRKCDFYNTGFBR1
SCHEMBL8969842 0.84 PRKCQ (0.53) PRKCQPRKCAPRKCDTGFBR1ACVR1
SCHEMBL8970354 0.84 PRKCQ (0.53) PRKCQPRKCAPRKCDTGFBR1ACVR1
SCHEMBL8970007 0.83 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970311 0.83 PRKCQ (0.52) 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