SCHEMBL9955097

SCHEMBL9955097

CCC(C)C(=O)N1CCc2nc(Nc3cccc(C#N)c3)ncc2C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.49
MAOB P27338 1/20 0.48
GRM5 P41594 1/20 0.48
PDGFRB P09619 9/20 0.47
EGFR P00533 1/20 0.47
BTK Q06187 1/20 0.47
FYN P06241 1/20 0.46
MAPT P10636 2/20 0.44
SIRT5 Q9NXA8 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL9953930 0.92 KDR (0.50) KDRMAOBGRM5PDGFRBEGFR
SCHEMBL9955805 0.85 PDGFRB (0.56) KDRMAOBGRM5PDGFRBEGFR
SCHEMBL9955589 0.85 KDR (0.51) KDRMAOBGRM5PDGFRBEGFR
SCHEMBL9956030 0.84 KDR (0.52) KDRMAOBGRM5PDGFRBEGFR
SCHEMBL9955625 0.82 KDR (0.51) KDRMAOBGRM5PDGFRBEGFR
SCHEMBL9955942 0.82 KDR (0.51) KDRMAOBGRM5PDGFRBEGFR
SCHEMBL9954917 0.82 KDR (0.52) KDRMAOBGRM5PDGFRBEGFR
SCHEMBL9960542 0.81 KDR (0.53) KDRMAOBGRM5PDGFRBEGFR
SCHEMBL9956369 0.81 KDR (0.51) KDRMAOBGRM5PDGFRBEGFR
SCHEMBL9954305 0.80 MAOB (0.46) KDRMAOBGRM5PDGFRBEGFR

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