SCHEMBL16507653

SCHEMBL16507653

CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)c(S(C)(=O)=O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.45
BRAF P15056 1/20 0.37
KIF11 P52732 1/20 0.35
GCK P35557 1/20 0.35
KDR P35968 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
SCHEMBL6479003 0.86 RAF1 (0.48) RAF1BRAFKDR
SCHEMBL3366820 0.82 KDR (0.44) BRAFKIF11KDR
SCHEMBL6385500 0.78 RAF1 (0.58) RAF1BRAFKIF11KDR
SCHEMBL6384112 0.76 RET (0.59) RAF1BRAFKDR
SCHEMBL6385523 0.75 KDR (0.42) RAF1KIF11KDR
SCHEMBL6473984 0.75 RAF1 (0.61) RAF1BRAFKDR
SCHEMBL6382098 0.75 RAF1 (0.51) RAF1BRAFKDR
SCHEMBL6383754 0.74 RAF1 (0.56) RAF1BRAFKDR
SCHEMBL6384240 0.73 RAF1 (0.60) RAF1BRAFKDR
SCHEMBL6446742 0.73 RIPK2 (0.51) RAF1BRAFKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed