SCHEMBL8970370

SCHEMBL8970370

C=Cc1cnc(N)c(C(=O)c2cc(C(F)(F)F)cc(N3CCCCCC3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.37
CASP5 P51878 2/20 0.37
PRKCQ Q04759 5/20 0.37
SCN10A Q9Y5Y9 6/20 0.35
PRKCA P17252 3/20 0.35
PRKCD Q05655 3/20 0.35
TYK2 P29597 1/20 0.35
CASP4 P49662 1/20 0.34
CAMK1D Q8IU85 2/20 0.33
MAPK3 P27361 1/20 0.33
KLKB1 P03952 1/20 0.33
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33

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
SCHEMBL9008503 0.91 PRKCQ (0.47) CASP1CASP5PRKCQPRKCAPRKCD
SCHEMBL8970382 0.85 PLA2G1B (0.36) CASP1CASP5PRKCQSCN10APRKCA
SCHEMBL8970017 0.82 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL13857168 0.80 PRKCA (0.39) CASP1CASP5PRKCQPRKCAPRKCD
SCHEMBL8964982 0.76 PRKCA (0.49) PRKCQPRKCAPRKCD
SCHEMBL8970201 0.76 PRKCQ (0.53) PRKCQSCN10APRKCAPRKCD
SCHEMBL1481443 0.75 PRKCQ (0.48) PRKCQPRKCAPRKCD
SCHEMBL8970152 0.74 PRKCQ (0.69) PRKCQPRKCAPRKCD
SCHEMBL9011731 0.74 PRKCQ (0.51) PRKCQPRKCAPRKCDBMPR1BBMPR1A
SCHEMBL8970210 0.73 PRKCQ (0.49) 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