SCHEMBL20008462

SCHEMBL20008462

C=C(Nc1ccc(C)c(-c2nc3c(c(NCCCCC)n2)CNC3)c1)c1ccnc(C(C)(C)C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.58
BRAF P15056 19/20 0.58

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
SCHEMBL16121289 0.73 BRAF (1.00) RAF1BRAF
SCHEMBL20008273 0.70 BRAF (0.51) RAF1BRAF
SCHEMBL16121557 0.69 BRAF (1.00) RAF1BRAF
SCHEMBL22562030 0.67 RAF1 (0.50) RAF1BRAF
SCHEMBL20008551 0.63 RAF1 (0.55) RAF1BRAF
SCHEMBL19328133 0.63 RAF1 (0.58) RAF1BRAF
SCHEMBL25983583 0.63 RAF1 (0.56) RAF1BRAF
SCHEMBL22561987 0.63 RAF1 (0.48) RAF1BRAF
SCHEMBL20009398 0.62 RAF1 (0.49) RAF1BRAF
SCHEMBL20008480 0.61 RAF1 (0.47) 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