SCHEMBL20008468

SCHEMBL20008468

C=C(Nc1ccc(C)c(-c2cnc(C)c(N(CCC)CCC)c2)c1)c1cc(CN(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.43
BRAF P15056 17/20 0.43
LCK P06239 2/20 0.36
KDR P35968 2/20 0.36
JAK3 P52333 2/20 0.36
MAPK14 Q16539 2/20 0.36
TEK Q02763 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
SCHEMBL20010072 0.69 RAF1 (0.48) RAF1BRAF
SCHEMBL25984271 0.67 RAF1 (0.58) RAF1BRAFLCKKDRJAK3
SCHEMBL13220011 0.66 LCK (0.55) RAF1BRAFLCKKDRJAK3
SCHEMBL17523481 0.64 RAF1 (0.77) RAF1BRAF
SCHEMBL19529238 0.63 RAF1 (0.43) RAF1BRAF
SCHEMBL25983598 0.63 ABL1 (0.57) RAF1BRAF
SCHEMBL25702636 0.62 RAF1 (0.57) RAF1BRAF
SCHEMBL23654063 0.60 RAF1 (0.43) RAF1BRAF
SCHEMBL25589586 0.60
SCHEMBL20009106 0.59 MAPT (0.35) 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