SCHEMBL20009426

SCHEMBL20009426

Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(NCCO)nc(OC[C@@H]2CCCN2)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.62
BRAF P15056 3/20 0.57
MAPK13 O15264 1/20 0.48
KDR P35968 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48

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
SCHEMBL20008578 0.87 RAF1 (0.60) RAF1BRAFMAPK13KDRMAPK12
SCHEMBL20008577 0.87 RAF1 (0.59) RAF1BRAF
SCHEMBL20008579 0.86 RAF1 (0.60) RAF1BRAF
SCHEMBL20009424 0.86 RAF1 (0.60) RAF1BRAF
SCHEMBL17523505 0.85 RAF1 (0.76) RAF1BRAF
SCHEMBL17523501 0.85 RAF1 (0.76) RAF1BRAF
SCHEMBL20010355 0.84 RAF1 (0.44) RAF1BRAF
SCHEMBL20264516 0.76 RAF1 (1.00) RAF1BRAF
SCHEMBL20264480 0.76 RAF1 (1.00) RAF1BRAF
SCHEMBL20264713 0.74 RAF1 (1.00) 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