SCHEMBL20008419

SCHEMBL20008419

C=C(Nc1ccc(C)c(C(=N)/C=C\c2ncc[nH]2)c1)c1ccnc(C(C)(C)C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.39
BRAF P15056 18/20 0.39
CYP2C9 P11712 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
SCHEMBL20010011 0.89 BRAF (0.48) RAF1BRAFCYP2C9
SCHEMBL20008376 0.76 RAF1 (0.42) RAF1BRAF
SCHEMBL20009314 0.76 RAF1 (0.39) RAF1BRAF
SCHEMBL20009217 0.76 RAF1 (0.39) RAF1BRAF
SCHEMBL20008263 0.75 BRAF (0.33) RAF1BRAF
SCHEMBL20009418 0.74 RAF1 (0.43) RAF1BRAF
SCHEMBL20008367 0.73 RAF1 (0.41) RAF1BRAFCYP2C9
SCHEMBL3936862 0.69 BRAF (0.57) RAF1BRAFCYP2C9
SCHEMBL20008253 0.69 RAF1 (0.42) RAF1BRAF
SCHEMBL3944249 0.68 BRAF (0.56) RAF1BRAFCYP2C9

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