SCHEMBL9958797

SCHEMBL9958797

CN1CC(N2CCN(OC(=O)Nc3cc(Oc4ccc(NC(=O)NC(=O)Cc5ccccc5)cc4F)ccn3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.51
CSF1R P07333 1/20 0.51
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT3 P36888 1/20 0.51
KDR P35968 18/20 0.48
BRAF P15056 9/20 0.47

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
SCHEMBL9958072 0.94 MET (0.58) METCSF1RPDGFRBPDGFRAFLT3
SCHEMBL9958154 0.93 MET (0.52) METPDGFRBPDGFRAKDR
SCHEMBL13861594 0.90 MET (0.52) METCSF1RPDGFRBPDGFRAFLT3
SCHEMBL9958865 0.87 MET (0.53) METCSF1RPDGFRBPDGFRAFLT3
SCHEMBL9958601 0.87 MET (0.48) METCSF1RPDGFRBPDGFRAFLT3
SCHEMBL4326264 0.85 MET (0.53) METCSF1RPDGFRBPDGFRAFLT3
SCHEMBL13861601 0.85 MET (0.60) METCSF1RPDGFRBPDGFRAFLT3
SCHEMBL4343909 0.84 MET (0.56) METCSF1RPDGFRBPDGFRAFLT3
SCHEMBL9958796 0.84 MET (0.54) METKDR
SCHEMBL13861600 0.84 MET (0.56) METKDR

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-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP claimed