SCHEMBL9956030

SCHEMBL9956030

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.52
MAOB P27338 1/20 0.51
GRM5 P41594 1/20 0.51
PDGFRB P09619 10/20 0.50
MAPT P10636 1/20 0.50
EGFR P00533 1/20 0.49
BTK Q06187 1/20 0.49
FYN P06241 1/20 0.45
SYK P43405 1/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 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
SCHEMBL9955589 0.94 KDR (0.51) KDRMAOBGRM5PDGFRBMAPT
SCHEMBL9960542 0.91 KDR (0.53) KDRMAOBGRM5PDGFRBMAPT
SCHEMBL9955805 0.89 PDGFRB (0.56) KDRMAOBGRM5PDGFRBMAPT
SCHEMBL9953995 0.86 MAOB (0.57) KDRMAOBGRM5PDGFRBMAPT
SCHEMBL9955625 0.85 KDR (0.51) KDRMAOBGRM5PDGFRBMAPT
SCHEMBL9955942 0.85 KDR (0.51) KDRMAOBGRM5PDGFRBMAPT
SCHEMBL9953930 0.85 KDR (0.50) KDRMAOBGRM5PDGFRBMAPT
SCHEMBL9954917 0.85 KDR (0.52) KDRMAOBGRM5PDGFRBMAPT
SCHEMBL9955097 0.84 KDR (0.49) KDRMAOBGRM5PDGFRBMAPT
SCHEMBL9956369 0.84 KDR (0.51) 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 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