SCHEMBL20525872

SCHEMBL20525872

COc1cc2c(Oc3ccc(N(Cc4cccc(Cl)c4)C(=O)C(N)=O)cc3F)ccnc2cc1OCC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.51
FLT3 P36888 1/20 0.44
EGFR P00533 2/20 0.44
FGFR1 P11362 2/20 0.44
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
KDR P35968 2/20 0.44
IRAK4 Q9NWZ3 1/20 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
SCHEMBL2206403 0.93 MET (0.50) METFLT3EGFRFGFR1FLT1
SCHEMBL3832618 0.93 MET (0.52) METFLT3EGFRFGFR1FLT1
SCHEMBL3227275 0.93 MET (0.53) METFLT3KDRIRAK4
SCHEMBL3835832 0.93 MET (0.51) METFLT3EGFRFGFR1FLT1
SCHEMBL3832583 0.93 MET (0.57) METFLT3KDRIRAK4
SCHEMBL15520757 0.93 MET (0.52) METFLT3EGFRFGFR1FLT1
SCHEMBL3836125 0.91 MET (0.50) METFLT3IRAK4
SCHEMBL15103894 0.91 MET (0.54) METFLT3KDRIRAK4
SCHEMBL4466096 0.90 MET (0.51) METFLT3IRAK4
SCHEMBL17867473 0.90 MET (0.49) METFLT3EGFRFGFR1FLT1

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-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed