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SCHEMBL3830873

SCHEMBL3830873

COc1cc2c(Oc3ccc(N(CCc4ccccc4)C(=O)C(N)=O)cc3F)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.49
▸ KIT P10721 1/20 0.47
▸ RAF1 P04049 1/20 0.47
▸ KDR P35968 6/20 0.47
▸ FGFR1 P11362 2/20 0.47
▸ FLT1 P17948 2/20 0.47
▸ FLT4 P35916 2/20 0.47
▸ RET P07949 1/20 0.47
▸ KIF5B P33176 1/20 0.47
▸ MET P08581 2/20 0.47

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
SCHEMBL15520452 0.91 KDR (0.45) EGFRKITKDRFLT1RET
SCHEMBL407662 0.91 MET (0.57) MET
SCHEMBL3836016 0.87 MET (0.43) EGFRKITRAF1KDRMET
SCHEMBL4458364 0.85 MET (0.53) EGFRKITRAF1KDRFGFR1
SCHEMBL3830884 0.82 MET (0.44) EGFRKDRMET
SCHEMBL3830213 0.82 MET (0.47) KDRMET
SCHEMBL3829110 0.80 MET (0.47) KDRMET
SCHEMBL2328218 0.80 MET (0.54) EGFRKITKDRMET
SCHEMBL371982 0.79 MET (0.58) EGFRRAF1KDRMET
SCHEMBL2330029 0.79 MET (0.56) MET

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
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 — — EP claimed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 — — WO claimed
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