SCHEMBL20525596

SCHEMBL20525596

CCOc1ccccc1CCNC(=O)C(=O)Nc1ccc(Oc2ccnc3c(OC)c(OCC4CCNCC4)ccc23)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.48
FLT3 P36888 4/20 0.40
KDR P35968 2/20 0.37
AXL P30530 2/20 0.36
AURKA O14965 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
FER P16591 1/20 0.36
CDK8 P49336 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
MAP2K5 Q13163 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL20525743 0.95 MET (0.51) METFLT3KDRAXL
SCHEMBL20525793 0.93 MET (0.50) METFLT3KDR
SCHEMBL20525840 0.92 MET (0.49) METFLT3KDR
SCHEMBL20525853 0.92 MET (0.48) METFLT3KDRAXL
SCHEMBL20525706 0.92 MET (0.48) METFLT3KDR
SCHEMBL20525613 0.90 MET (0.48) METFLT3KDRAXL
SCHEMBL20525585 0.90 MET (0.52) METFLT3KDRAXL
SCHEMBL20525813 0.90 MET (0.48) METFLT3KDRAXL
SCHEMBL20525627 0.90 MET (0.48) METFLT3KDRAXL
SCHEMBL20525661 0.89 MET (0.52) METFLT3KDRAXL

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 claimed