SCHEMBL9903084

SCHEMBL9903084

O=C(Nc1ccc(Nc2ncnc3[nH]ccc(=O)c23)cc1)Nc1ccc(OCCCN2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 6/20 0.58
▸ KDR P35968 3/20 0.58
▸ EGFR P00533 3/20 0.58
▸ EPHX2 P34913 8/20 0.52
▸ RAF1 P04049 2/20 0.51
▸ RET P07949 2/20 0.48
▸ MAPK14 Q16539 2/20 0.48
▸ MAP4K1 Q92918 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
SCHEMBL9902789 0.89 EPHX2 (0.54) BRAFKDREGFREPHX2RAF1
SCHEMBL3763732 0.83 NTRK1 (0.43) BRAFKDREGFRRAF1RET
SCHEMBL3763784 0.81 KDR (0.47) BRAFKDREGFRRAF1RET
SCHEMBL9903598 0.80 BRAF (0.52) BRAFKDREGFRRAF1MAPK14
SCHEMBL3832628 0.79 EPHX2 (0.53) BRAFKDREGFREPHX2RAF1
SCHEMBL9946550 0.78 NTRK1 (0.39) BRAFKDREGFRRAF1RET
SCHEMBL3767827 0.78 CDK8 (0.50) KDRRET
SCHEMBL3762266 0.77 KIT (0.62) BRAFKDRRAF1RET
SCHEMBL12694305 0.74 KDR (1.00) BRAFKDREGFRRETMAPK14
SCHEMBL3762938 0.72 RET (0.60) BRAFKDRRETMAPK14

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-1809629-B1 N,N'-diphenyl urea derivatives suitable for the treatment of tumours, eye diseases, inflammation and diseases of the immune system MERCK PATENT GMBH (DE) 2012-06-13 — — EP claimed
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