SCHEMBL285197

SCHEMBL285197

N#CCc1csc(-c2c(C(c3ccccc3)(c3ccccc3)c3ccccc3)cnc3[nH]ncc23)n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.32
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKCD Q05655 1/20 0.31
ROCK1 Q13464 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CHEK1 O14757 3/20 0.30
CHEK2 O96017 1/20 0.30

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
SCHEMBL285644 0.81 PRKCQ (0.43) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL10276910 0.74 PRKCQ (0.46) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL285150 0.67 MAPK1 (0.40) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL2226447 0.66 DRD2 (0.53) MAPTKMT2A
SCHEMBL285566 0.65 CCNE2 (0.42) MAPT
SCHEMBL9937393 0.64 PRKCQ (0.43) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL285196 0.63 NUDT1 (0.33) JAK2MEN1MAPTKMT2A
SCHEMBL5930632 0.61 ALDH1A1 (0.69) MEN1MAPTKMT2A
SCHEMBL28009248 0.61 ALDH1A1 (0.44) MEN1MAPTKMT2A
SCHEMBL11341609 0.58 KDM4E (0.45) KMT2A

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