SCHEMBL4473446

SCHEMBL4473446

COc1cc2c(Oc3ccc(N(CCc4ccc(C)cc4)C(=O)C(N)=O)cc3F)ccnc2cc1OCC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.51
FLT3 P36888 3/20 0.47
KDR P35968 3/20 0.44
EGFR P00533 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
AXL P30530 2/20 0.42

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
SCHEMBL19347622 0.96 MET (0.51) METFLT3KDRIRAK4AXL
SCHEMBL3829238 0.96 MET (0.52) METFLT3KDREGFRFGFR1
SCHEMBL2202519 0.95 MET (0.51) METFLT3KDREGFRFGFR1
SCHEMBL3898054 0.95 MET (0.50) METFLT3KDREGFRFGFR1
SCHEMBL3831025 0.95 MET (0.51) METFLT3KDREGFRFGFR1
SCHEMBL19689608 0.94 MET (0.49) METFLT3KDRIRAK4AXL
SCHEMBL4557818 0.93 MET (0.50) METFLT3KDREGFRFGFR1
SCHEMBL2204014 0.93 MET (0.50) METFLT3KDREGFRFGFR1
SCHEMBL374347 0.93 MET (0.55) METFLT3KDRIRAK4
SCHEMBL4461319 0.93 MET (0.51) METFLT3KDREGFRFGFR1

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed