SCHEMBL20008132

SCHEMBL20008132

C=C/C(=C\C(=C/N(C)CCC#N)c1cc(NC(=C)c2cccc(C(F)(F)F)c2)cnc1C)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.44
BRAF P15056 18/20 0.44
LCK P06239 2/20 0.39
MAPK14 Q16539 2/20 0.39

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
SCHEMBL20009576 0.69 RAF1 (0.40) RAF1BRAF
SCHEMBL19068928 0.65 RAF1 (0.57) RAF1BRAF
SCHEMBL20009265 0.65 BTK (0.45) RAF1BRAFLCKMAPK14
SCHEMBL26815890 0.63 RAF1 (0.65) RAF1BRAF
SCHEMBL21091770 0.63 RAF1 (0.56) RAF1BRAF
SCHEMBL20008497 0.62 BRAF (0.45) RAF1BRAFLCKMAPK14
SCHEMBL22561895 0.61 RAF1 (0.58) RAF1BRAF
SCHEMBL16121219 0.61 RAF1 (1.00) RAF1BRAF
SCHEMBL20008240 0.61 RAF1 (0.43) RAF1BRAF
SCHEMBL11279582 0.59 LMNA (0.50)

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