SCHEMBL2231889

SCHEMBL2231889

COc1cc2c(Oc3ccc(N(Cc4ccc(F)c(C(F)(F)F)c4)C(=O)C(N)=O)cc3F)ccnc2cc1OCC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.49
FLT3 P36888 3/20 0.45
IRAK4 Q9NWZ3 1/20 0.42
AXL P30530 5/20 0.41
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
SCHEMBL15520694 0.95 MET (0.49) METFLT3IRAK4AXLKDR
SCHEMBL15520757 0.93 MET (0.52) METFLT3IRAK4AXLKDR
SCHEMBL2206403 0.91 MET (0.50) METFLT3IRAK4AXLKDR
SCHEMBL3835832 0.91 MET (0.51) METFLT3IRAK4KDR
SCHEMBL3836125 0.90 MET (0.50) METFLT3IRAK4AXL
SCHEMBL3829179 0.90 MET (0.49) METFLT3IRAK4AXLKDR
SCHEMBL3832694 0.90 MET (0.53) METFLT3IRAK4AXLKDR
SCHEMBL3830796 0.90 MET (0.52) METFLT3IRAK4AXL
SCHEMBL3835182 0.90 MET (0.51) METFLT3IRAK4KDR
SCHEMBL3832583 0.89 MET (0.57) METFLT3IRAK4KDR

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
EP-2213661-B1 c-Met Modulators and Methods of Use EXELIXIS INC (US) 2011-07-20 EP disclosed