SCHEMBL20008341

SCHEMBL20008341

CNc1ccc(C)c(-c2cnc(C)c(N3CCCC3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.38
BRAF P15056 15/20 0.38
MAPK14 Q16539 2/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36

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
SCHEMBL20009443 0.99 RAF1 (0.37) RAF1BRAFMAPK14ROCK2ROCK1
SCHEMBL20008313 0.86 ROCK2 (0.41) RAF1BRAFMAPK14ROCK2ROCK1
SCHEMBL20008475 0.85 RAF1 (0.39) RAF1BRAFROCK2ROCK1CDC42BPB
SCHEMBL20009415 0.84 RAF1 (0.37) RAF1BRAFMAPK14
SCHEMBL20008359 0.84 CNR2 (0.42)
SCHEMBL20008778 0.83 RAF1 (0.37) RAF1BRAFMAPK14ROCK2ROCK1
SCHEMBL20008770 0.81 RAF1 (0.43) RAF1BRAFMAPK14ROCK2ROCK1
SCHEMBL20009446 0.77 RAF1 (0.41) RAF1BRAF
SCHEMBL20008151 0.77 RAF1 (0.48) RAF1BRAF
SCHEMBL20008327 0.77 RAF1 (0.59) RAF1BRAF

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