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Sugi Predict / Compounds / SCHEMBL3835832

SCHEMBL3835832

SCHEMBL3835832

COc1cc2c(Oc3ccc(N(Cc4ccc(Cl)cc4)C(=O)C(N)=O)cc3F)ccnc2cc1OCC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 15/20 0.51
▸ KDR P35968 3/20 0.45
▸ EGFR P00533 2/20 0.45
▸ FGFR1 P11362 2/20 0.45
▸ FLT1 P17948 2/20 0.45
▸ FLT4 P35916 2/20 0.45
▸ FLT3 P36888 2/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL2206403 0.95 MET (0.50) METKDREGFRFGFR1FLT1
SCHEMBL15520757 0.94 MET (0.52) METKDREGFRFGFR1FLT1
SCHEMBL3832694 0.94 MET (0.53) METKDRFLT3IRAK4
SCHEMBL3832583 0.93 MET (0.57) METKDRFLT3IRAK4
SCHEMBL20525872 0.93 MET (0.51) METKDREGFRFGFR1FLT1
SCHEMBL17867473 0.91 MET (0.49) METKDREGFRFGFR1FLT1
SCHEMBL5569261 0.91 MET (0.49) METKDREGFRFGFR1FLT1
SCHEMBL15263369 0.91 MET (0.53) METKDREGFRFGFR1FLT1
SCHEMBL2231889 0.91 MET (0.49) METKDRFLT3IRAK4
SCHEMBL3835182 0.91 MET (0.51) METKDRFLT3IRAK4

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