SCHEMBL20008469

SCHEMBL20008469

Cc1cnc(C)c(-c2cnc(CC#N)c(N3CCCCC3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
RAF1 P04049 14/20 0.34
BRAF P15056 14/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
CDC42BPB Q9Y5S2 2/20 0.34
PDE10A Q9Y233 1/20 0.32
FEN1 P39748 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
SCHEMBL20008486 0.83 CNR2 (0.45) CNR2RAF1BRAFROCK2ROCK1
SCHEMBL20008259 0.71 RAF1 (0.38) RAF1BRAF
SCHEMBL20008326 0.70 RAF1 (0.39) RAF1BRAF
SCHEMBL20008328 0.70 CNR2 (0.48) CNR2RAF1BRAF
SCHEMBL20008289 0.70 RAF1 (0.37) RAF1BRAF
SCHEMBL20008359 0.69 CNR2 (0.42) CNR2
SCHEMBL20008475 0.69 RAF1 (0.39) RAF1BRAFROCK2ROCK1CDC42BPB
SCHEMBL20008296 0.68 SMARCA2 (0.40) CNR2RAF1BRAFPDE10A
SCHEMBL20008768 0.68 RAF1 (0.37) RAF1BRAF
SCHEMBL20008149 0.67 RAF1 (0.40) 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