SCHEMBL20009521

SCHEMBL20009521

CCc1ncc(-c2cc(-c3ccnc(C4(C#N)CC4)c3)cnc2C)nc1N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.45
RAF1 P04049 12/20 0.45
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
ROCK2 O75116 4/20 0.34
ROCK1 Q13464 4/20 0.34
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 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
SCHEMBL20008422 0.71 PIK3CA (0.38) BRAFRAF1PIK3CAROCK2ROCK1
SCHEMBL20008211 0.65 BRAF (0.36) BRAFRAF1PIK3CAPDCD1CD274
SCHEMBL20008197 0.64 RAF1 (0.39) BRAFRAF1PIK3CAROCK2ROCK1
SCHEMBL20008287 0.63 RAF1 (0.44) BRAFRAF1PIK3CD
SCHEMBL20009417 0.63 RAF1 (0.42) BRAFRAF1PIK3CDROCK2ROCK1
SCHEMBL20008265 0.62 RAF1 (0.43) BRAFRAF1ROCK2ROCK1
SCHEMBL18948488 0.61 NOS3 (0.43) BRAFRAF1PIK3CA
SCHEMBL20008154 0.60 RAF1 (0.45) BRAFRAF1
SCHEMBL13806000 0.59 UHRF1 (0.41) BRAFRAF1PIK3CAPIK3CDPIK3CB
SCHEMBL1938188 0.59 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGROCK2

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed