SCHEMBL20008475

SCHEMBL20008475

CNc1cnc(C)c(-c2cnc(C)c(N3CCCCC3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.39
BRAF P15056 19/20 0.39
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
SCHEMBL20008216 0.90 RAF1 (0.47) RAF1BRAFROCK2ROCK1CDC42BPB
SCHEMBL20008259 0.89 RAF1 (0.38) RAF1BRAF
SCHEMBL20008151 0.88 RAF1 (0.48) RAF1BRAF
SCHEMBL20008157 0.88 RAF1 (0.49) RAF1BRAF
SCHEMBL20008326 0.87 RAF1 (0.39) RAF1BRAF
SCHEMBL20009443 0.87 RAF1 (0.37) RAF1BRAFROCK2ROCK1CDC42BPB
SCHEMBL20008289 0.87 RAF1 (0.37) RAF1BRAF
SCHEMBL20009428 0.86 RAF1 (0.51) RAF1BRAF
SCHEMBL20008341 0.85 RAF1 (0.38) RAF1BRAFROCK2ROCK1CDC42BPB
SCHEMBL20008768 0.84 RAF1 (0.37) 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