SCHEMBL20525802

SCHEMBL20525802

COc1c(OCC2CCNCC2)ccc2c(Oc3ccc(NC(=O)C(=O)NCc4cccc(C(F)(F)F)c4)cc3F)ccnc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.46
FLT3 P36888 2/20 0.41
KDR P35968 4/20 0.40
BRAF P15056 2/20 0.40
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL20525799 0.94 MET (0.46) METFLT3KDRBRAF
SCHEMBL20525659 0.93 MET (0.46) METFLT3KDR
SCHEMBL20525529 0.92 MET (0.45) METFLT3KDRBRAF
SCHEMBL20525683 0.92 MET (0.48) METFLT3KDR
SCHEMBL20525664 0.92 MET (0.49) METFLT3KDRLMNASMN1; SMN2
SCHEMBL20525667 0.91 MET (0.53) METFLT3KDR
SCHEMBL20525681 0.91 MET (0.47) METFLT3KDRBRAF
SCHEMBL20525691 0.91 MET (0.47) METFLT3KDR
SCHEMBL20525834 0.90 MET (0.45) METFLT3KDR
SCHEMBL20525622 0.90 MET (0.45) METFLT3KDRBRAF

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