SCHEMBL20525823

SCHEMBL20525823

COc1c(OCC2CN(C)C2)ccc2c(Oc3ccc(NC(=O)C(=O)NCCc4ccccc4)cc3F)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MET P08581 19/20 0.46
KDR P35968 5/20 0.43
IGF1R P08069 5/20 0.41
AXL P30530 1/20 0.41

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
SCHEMBL20525726 0.95 POLB (0.44) POLBMETKDRIGF1RAXL
SCHEMBL20525804 0.91 POLB (0.48) POLBMETKDRAXL
SCHEMBL20525585 0.90 MET (0.52) POLBMETKDRIGF1RAXL
SCHEMBL20525632 0.89 MET (0.53) POLBMETKDRAXL
SCHEMBL20525675 0.88 POLB (0.58) POLBMETKDRAXL
SCHEMBL20525673 0.88 MET (0.49) METKDRIGF1RAXL
SCHEMBL371592 0.87 MET (0.60) METKDRAXL
SCHEMBL20525821 0.87 MET (0.54) METKDRIGF1R
SCHEMBL20525522 0.85 MET (0.51) POLBMETKDRAXL
SCHEMBL20525591 0.85 MET (0.51) POLBMETKDRIGF1R

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