SCHEMBL3832327

SCHEMBL3832327

COc1cc2c(Oc3ccc(N(CC(c4ccccc4)N(C)C)C(=O)C(N)=O)cc3F)ccnc2cc1OCC1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 18/20 0.54
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ KDR P35968 1/20 0.40

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
SCHEMBL2906698 0.90 MET (0.53) METKDR
SCHEMBL3830889 0.88 MET (0.55) METIRAK4FLT3
SCHEMBL3830897 0.88 MET (0.55) METIRAK4FLT3
SCHEMBL3832583 0.88 MET (0.57) METIRAK4FLT3KDR
SCHEMBL2902292 0.87 MET (0.54) METIRAK4FLT3KDR
SCHEMBL5570609 0.87 MET (0.55) METIRAK4FLT3KDR
SCHEMBL4472599 0.87 MET (0.56) METIRAK4FLT3
SCHEMBL3857815 0.87 MET (0.56) METIRAK4FLT3
SCHEMBL3858219 0.86 MET (0.55) METIRAK4FLT3KDR
SCHEMBL3848541 0.86 MET (0.55) METIRAK4FLT3KDR

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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