SCHEMBL1662217

SCHEMBL1662217

NC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.68
KDR P35968 5/20 0.68
MAPK14 Q16539 1/20 0.55

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
SCHEMBL1662209 0.91 BRAF (0.69) BRAFKDRMAPK14
SCHEMBL1662296 0.91 RAF1 (0.64) BRAFKDRMAPK14
SCHEMBL1660403 0.88 BRAF (0.68) BRAFKDRMAPK14
SCHEMBL1660319 0.88 BRAF (0.54) BRAFKDRMAPK14
SCHEMBL1660418 0.87 MAPK14 (0.54) BRAFKDRMAPK14
SCHEMBL1659070 0.86 MAPK14 (0.53) BRAFKDRMAPK14
SCHEMBL2851866 0.82 RAF1 (0.51) BRAFKDRMAPK14
SCHEMBL28499404 0.81 RAF1 (0.62) BRAFKDRMAPK14
SCHEMBL2932022 0.81 BRAF (0.71) BRAFKDR
SCHEMBL19878519 0.81 BRAF (0.63) BRAFKDRMAPK14

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
WO-2011046991-A2 CERTAIN SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT, INC. (US) 2011-04-21 WO disclosed