SCHEMBL5318073

SCHEMBL5318073

CCOC(=O)c1cc(C#N)c(N2CC3CC2CN3)nc1C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.54
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CHRM2 P08172 1/20 0.49
DRD3 P35462 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL4104776 1.00 P2RY12 (0.54) P2RY12KDM4EHSD17B10GAAL3MBTL1
SCHEMBL4104756 0.82 P2RY12 (0.64) P2RY12KDM4EHSD17B10GAAL3MBTL1
SCHEMBL3221673 0.77 P2RY12 (0.69) P2RY12KDM4EHSD17B10CYP3A4CYP2C9
SCHEMBL5592396 0.77 ALDH1A1 (0.55) P2RY12KDM4EHSD17B10GAAL3MBTL1
SCHEMBL4112754 0.77 P2RY12 (0.60) P2RY12KDM4EHSD17B10GAAL3MBTL1
SCHEMBL4112758 0.77 P2RY12 (0.60) P2RY12KDM4EHSD17B10GAAL3MBTL1
SCHEMBL4115539 0.77 P2RY12 (0.64) P2RY12KDM4EHSD17B10GAAL3MBTL1
SCHEMBL4872969 0.76 P2RY12 (0.61) P2RY12KDM4EHSD17B10CYP3A4CYP2C9
SCHEMBL4872874 0.75 KDM4E (0.53) P2RY12KDM4EHSD17B10GAAL3MBTL1
Hydrochloric Acid SCHEMBL4104473 0.75 P2RY12 (0.61) P2RY12KDM4EHSD17B10CYP3A4CYP2C9

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
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed