SCHEMBL4564802

SCHEMBL4564802

COc1cc(CCN(C(=O)C(N)=O)c2ccc(Oc3ccnc4cc(OCC5CCNCC5)c(OC)cc34)c(F)c2)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.52
FLT3 P36888 3/20 0.46
IRAK4 Q9NWZ3 1/20 0.43
KDR P35968 3/20 0.41
EGFR P00533 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
AXL P30530 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
SCHEMBL3829176 0.94 MET (0.52) METFLT3IRAK4KDR
SCHEMBL3829238 0.94 MET (0.52) METFLT3IRAK4KDREGFR
SCHEMBL15263369 0.93 MET (0.53) METFLT3IRAK4KDREGFR
SCHEMBL19347622 0.93 MET (0.51) METFLT3IRAK4KDRAXL
SCHEMBL3831025 0.93 MET (0.51) METFLT3IRAK4KDREGFR
SCHEMBL4473446 0.93 MET (0.51) METFLT3IRAK4KDREGFR
SCHEMBL2202519 0.92 MET (0.51) METFLT3IRAK4KDREGFR
SCHEMBL4557818 0.91 MET (0.50) METFLT3IRAK4KDREGFR
SCHEMBL3898054 0.91 MET (0.50) METFLT3IRAK4KDREGFR
SCHEMBL2205570 0.91 MET (0.52) METFLT3IRAK4KDREGFR

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 disclosed