SCHEMBL20525829

SCHEMBL20525829

COc1c(OCC2CCNCC2)ccc2c(Oc3ccc(NC(=O)C(=O)NCCc4ccc(Cl)cc4)cc3F)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.47
FLT3 P36888 2/20 0.41
POLB P06746 1/20 0.38
KDR P35968 2/20 0.38
AXL P30530 1/20 0.38

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
SCHEMBL20525684 0.94 MET (0.47) METFLT3KDRAXL
SCHEMBL20525574 0.94 MET (0.47) METFLT3POLBKDRAXL
SCHEMBL20525737 0.94 MET (0.48) METFLT3POLBKDRAXL
SCHEMBL20525822 0.94 MET (0.47) METFLT3KDRAXL
SCHEMBL20525837 0.94 MET (0.47) METFLT3POLBKDRAXL
SCHEMBL20525721 0.93 MET (0.46) METFLT3POLBKDRAXL
SCHEMBL20525756 0.93 MET (0.47) METFLT3POLBKDRAXL
SCHEMBL20525651 0.93 MET (0.48) METFLT3POLBKDRAXL
SCHEMBL20525585 0.93 MET (0.52) METFLT3POLBKDRAXL
SCHEMBL20525531 0.93 MET (0.47) METFLT3POLBKDRAXL

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