SCHEMBL8970382

SCHEMBL8970382

Nc1ncc(Br)cc1C(=O)c1cc(C(F)(F)F)cc(N2CCCCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
PRKCQ Q04759 5/20 0.36
PRKCA P17252 2/20 0.36
PRKCD Q05655 2/20 0.36
SCN10A Q9Y5Y9 6/20 0.36
TYK2 P29597 1/20 0.36
CAMK1D Q8IU85 1/20 0.35
AR P10275 1/20 0.34
CASP1 P29466 1/20 0.34
CASP5 P51878 1/20 0.34
OPRK1 P41145 1/20 0.34
LCK P06239 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL8964982 0.90 PRKCA (0.49) PRKCQPRKCAPRKCD
SCHEMBL8970370 0.85 CASP1 (0.37) PRKCQPRKCAPRKCDSCN10ATYK2
SCHEMBL8965113 0.81 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL8969734 0.81 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL11993709 0.78 PRKCQ (0.45) PRKCQPRKCAPRKCDTYK2AR
SCHEMBL8970201 0.78 PRKCQ (0.53) PRKCQPRKCAPRKCDSCN10A
SCHEMBL9008503 0.77 PRKCQ (0.47) PRKCQPRKCAPRKCDCASP1CASP5
SCHEMBL11993710 0.72 PRKCQ (0.42) PRKCQPRKCAPRKCDOPRK1PLAU
SCHEMBL8964883 0.72 PRKCA (0.53) PRKCQPRKCAPRKCD
SCHEMBL9013278 0.72 PRKCQ (0.53) PRKCQPRKCAPRKCD

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