SCHEMBL20008890

SCHEMBL20008890

CNc1cnc(C)c(-c2ccnc(N3CCCCC3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.49
BRAF P15056 16/20 0.49
NMT1 P30419 1/20 0.44
HRH4 Q9H3N8 2/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41

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
SCHEMBL20008475 0.78 RAF1 (0.39) RAF1BRAFROCK2ROCK1CDC42BPB
SCHEMBL20008242 0.77 RAF1 (0.84) RAF1BRAF
SCHEMBL28531378 0.76 GRIN2D (0.58) NMT1HRH4ROCK2ROCK1CDC42BPB
SCHEMBL20008786 0.76 RAF1 (0.46) RAF1BRAFROCK2ROCK1CDC42BPB
SCHEMBL20008619 0.75 RAF1 (0.84) RAF1BRAF
SCHEMBL4098509 0.75 GRIN2D (0.60) NMT1HRH4ROCK2ROCK1CDC42BPB
SCHEMBL20008373 0.74 RAF1 (0.46) RAF1BRAF
SCHEMBL20008216 0.74 RAF1 (0.47) RAF1BRAFROCK2ROCK1CDC42BPB
SCHEMBL20008138 0.73 RAF1 (0.87) RAF1BRAF
SCHEMBL20008259 0.73 RAF1 (0.38) 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