SCHEMBL285644

SCHEMBL285644

CC(C)(C#N)c1csc(-c2c(C(c3ccccc3)(c3ccccc3)c3ccccc3)cnc3[nH]ncc23)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 5/20 0.43
JAK2 O60674 2/20 0.43
ROCK2 O75116 2/20 0.43
PRKCD Q05655 2/20 0.43
ROCK1 Q13464 2/20 0.43
PRKCA P17252 1/20 0.43
BRAF P15056 2/20 0.32
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL292279 0.76 PRKCQ (0.68) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL285150 0.66 MAPK1 (0.40) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL2675526 0.64 PRKCQ (0.67) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL3798633 0.64 PRKCQ (0.59) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL285566 0.64 CCNE2 (0.42) CCNE2CCNE1CDK2
SCHEMBL285643 0.63 JAK2 (0.37) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9937393 0.63 PRKCQ (0.43) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL10310900 0.63 PRKCQ (0.53) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL13075228 0.61 PRKCQ (0.51) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL2675149 0.60 PRKCQ (1.00) PRKCQJAK2ROCK2PRKCDROCK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427464-A1 PYRAZOLOPYRIDINES Vertex Pharmaceuticals Incorporated (US) 2012-03-14 EP disclosed
WO-2010129668-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-11 WO disclosed