SCHEMBL9955068

SCHEMBL9955068

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

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.69
PDGFRB P09619 9/20 0.52
SIRT5 Q9NXA8 1/20 0.49
MAPK1 P28482 1/20 0.49
GRM5 P41594 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.47
FYN P06241 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 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
SCHEMBL9955998 0.88 MAOB (0.57) KDRPDGFRBSIRT5MAPK1GRM5
SCHEMBL9955600 0.88 KDR (0.74) KDRPDGFRBGRM5MAPTFYN
SCHEMBL17635116 0.84 PDGFRB (0.71) KDRPDGFRBSIRT5MAPK1GRM5
SCHEMBL9955095 0.84 KDR (0.84) KDRPDGFRBJAK2
SCHEMBL17635122 0.82 KDR (1.00) KDRPDGFRB
SCHEMBL9954960 0.78 MAOB (0.54) KDRPDGFRBSIRT5MAPK1GRM5
SCHEMBL9955097 0.77 KDR (0.49) KDRPDGFRBSIRT5GRM5MAPT
SCHEMBL9955606 0.76 PDGFRB (0.55) KDRPDGFRBSIRT5MAPK1GRM5
SCHEMBL9953930 0.76 KDR (0.50) KDRPDGFRBSIRT5GRM5MAPT
SCHEMBL9954102 0.76 MAOB (0.61) KDRPDGFRBSIRT5GRM5MAPT

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