SCHEMBL5014112

SCHEMBL5014112

CCOC(=O)c1cc(C#N)c(N2CC(C(=O)O)C2)nc1C.Cc1nc(N2CC(C(=O)O)C2)c(C#N)cc1C(=O)OC(C)C

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 19/20 0.63
CYP2C9 P11712 4/20 0.59
CYP3A4 P08684 3/20 0.59
KDM4E B2RXH2 1/20 0.53
CHRM2 P08172 1/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL4098353 0.94 KDM4E (0.59) P2RY12CYP2C9CYP3A4KDM4E
SCHEMBL3221673 0.94 P2RY12 (0.69) P2RY12CYP2C9CYP3A4KDM4ECHRM2
SCHEMBL5599344 0.91 P2RY12 (0.59) P2RY12CYP2C9CYP3A4KDM4E
SCHEMBL5592386 0.88 P2RY12 (0.63) P2RY12CYP2C9CYP3A4KDM4E
SCHEMBL4871507 0.88 P2RY12 (0.55) P2RY12CYP2C9CYP3A4KDM4E
SCHEMBL5014008 0.87 P2RY12 (0.62) P2RY12CYP2C9CYP3A4KDM4ECHRM2
SCHEMBL5134732 0.87 P2RY12 (0.54) P2RY12CYP2C9CYP3A4KDM4E
SCHEMBL29258844 0.86 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL30999839 0.86 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3586329 0.85 P2RY12 (0.54) P2RY12CYP2C9CYP3A4KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed