SCHEMBL20008291

SCHEMBL20008291

CCCN(C)c1cnc(C)c(-c2cnc(CC3CCOCC3)c(N3CCCC3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.45
BRAF P15056 18/20 0.45
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL20008167 0.92 RAF1 (0.42) RAF1BRAF
SCHEMBL20008302 0.89 RAF1 (0.42) RAF1BRAF
SCHEMBL20009446 0.72 RAF1 (0.41) RAF1BRAF
SCHEMBL20008331 0.67 RAF1 (0.43) RAF1BRAF
SCHEMBL26815890 0.65 RAF1 (0.65) RAF1BRAF
SCHEMBL19529245 0.64 RAF1 (0.47) RAF1BRAF
SCHEMBL20008326 0.63 RAF1 (0.39) RAF1BRAF
SCHEMBL20008289 0.63 RAF1 (0.37) RAF1BRAF
SCHEMBL20008259 0.62 RAF1 (0.38) RAF1BRAF
SCHEMBL20008287 0.62 RAF1 (0.44) 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