SCHEMBL9955600

SCHEMBL9955600

O=C(O)N1CCc2nc(Nc3cccc(F)c3)ncc2C1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.74
PDGFRB P09619 10/20 0.58
GRM5 P41594 1/20 0.52
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.48
FYN P06241 1/20 0.47
ENPP2 Q13822 1/20 0.46

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
SCHEMBL9955095 0.90 KDR (0.84) KDRPDGFRBTP53
SCHEMBL17635116 0.90 PDGFRB (0.71) KDRPDGFRBGRM5TP53FYN
SCHEMBL9955068 0.88 KDR (0.69) KDRPDGFRBGRM5MAPTFYN
SCHEMBL9954102 0.87 MAOB (0.61) KDRPDGFRBGRM5TP53MAPT
SCHEMBL17635122 0.85 KDR (1.00) KDRPDGFRB
SCHEMBL9955805 0.85 PDGFRB (0.56) KDRPDGFRBGRM5MAPTFYN
SCHEMBL12498045 0.78 MAPK1 (0.58) KDRPDGFRBMAPT
SCHEMBL9955257 0.78 PDGFRB (0.71) KDRPDGFRBGRM5
SCHEMBL9955875 0.76 MAOB (0.61) KDRPDGFRBGRM5MAPT
SCHEMBL9954695 0.76 PDGFRB (0.66) KDRPDGFRBGRM5MAPTFYN

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
WO-2012085167-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed