SCHEMBL4458364

SCHEMBL4458364

COc1cc2c(Oc3ccc(N(CCc4ccc(F)cc4)C(=O)C(N)=O)cc3F)ccnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 18/20 0.53
▸ KDR P35968 4/20 0.49
▸ AXL P30530 2/20 0.47
▸ FLT3 P36888 3/20 0.46
▸ PDGFRB P09619 2/20 0.46
▸ KIT P10721 2/20 0.46
▸ PDGFRA P16234 2/20 0.46
▸ FLT1 P17948 2/20 0.46
▸ MST1R Q04912 2/20 0.46
▸ EGFR P00533 2/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ STK25 O00506 1/20 0.46
▸ CIT O14578 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ MUSK O15146 1/20 0.46
▸ EPHB6 O15197 1/20 0.46
▸ MAPK13 O15264 1/20 0.46
▸ MAP3K13 O43283 1/20 0.46
▸ DAPK3 O43293 1/20 0.46

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
SCHEMBL407662 0.95 MET (0.57) METAXLFLT3
SCHEMBL19347622 0.91 MET (0.51) METKDRAXLFLT3PDGFRB
SCHEMBL2328218 0.89 MET (0.54) METKDRFLT3PDGFRBKIT
SCHEMBL4473446 0.87 MET (0.51) METKDRAXLFLT3FLT1
SCHEMBL3829238 0.87 MET (0.52) METKDRAXLFLT3FLT1
SCHEMBL4413202 0.87 MET (0.52) METKDRAXLFLT3KIT
SCHEMBL2202519 0.87 MET (0.51) METKDRAXLFLT3FLT1
SCHEMBL3898054 0.86 MET (0.50) METKDRAXLFLT3PDGFRB
SCHEMBL3831025 0.86 MET (0.51) METKDRAXLFLT3FLT1
SCHEMBL3830213 0.85 MET (0.47) METKDRMST1R

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-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 — — EP claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 — — WO claimed
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