SCHEMBL20008336

SCHEMBL20008336

C=C(Nc1ccc(C)c(/C(N)=C/C(=C(N)N)N2CCCCC2)c1)c1ccnc(C2(C#N)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.40
BRAF P15056 18/20 0.40
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL20009716 0.75 RAF1 (0.41) RAF1BRAF
SCHEMBL20008233 0.72 RAB9A (0.39)
SCHEMBL20008376 0.67 RAF1 (0.42) RAF1BRAF
SCHEMBL29878210 0.66 RAF1 (0.58) RAF1BRAF
SCHEMBL20008426 0.64 RAF1 (0.40) RAF1BRAF
SCHEMBL20008427 0.64 RAF1 (0.48) RAF1BRAF
SCHEMBL22561964 0.62 RAF1 (0.50) RAF1BRAF
SCHEMBL29877986 0.62 RAF1 (0.54) RAF1BRAF
SCHEMBL26003063 0.62 BRAF (0.48) RAF1BRAF
SCHEMBL20008784 0.61 BTK (0.34) RAF1

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