SCHEMBL20525545

SCHEMBL20525545

COc1ccc2c(Oc3ccc(NC(=O)C(=O)NCCc4ccc(Cl)cc4)cc3F)ccnc2c1OC

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.53
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.44
CNR1 P21554 1/20 0.44
KDR P35968 2/20 0.44
AXL P30530 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL20525675 0.92 POLB (0.58) METPOLBKDRAXL
SCHEMBL20525829 0.88 MET (0.47) METPOLBKDRAXL
SCHEMBL29693544 0.87 MET (0.69) METKDRAXL
SCHEMBL372112 0.87 MET (0.69) METKDRAXL
SCHEMBL20525807 0.85 MET (0.47) METPOLBTHRBKDRTDP1
SCHEMBL20525633 0.84 MET (0.52) METPOLBKDRAXL
SCHEMBL4459639 0.84 MET (0.65) METKDRAXL
SCHEMBL20525748 0.83 MET (0.49) METALDH1A1KDR
SCHEMBL20525804 0.82 POLB (0.48) METPOLBKDRAXL
SCHEMBL20525610 0.82 POLB (0.48) METPOLBKDRAXL

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