SCHEMBL5319003

SCHEMBL5319003

Cc1nc(N2CC(C(=O)NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)c(C#N)cc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.68
CYP2C9 P11712 3/20 0.53
CYP3A4 P08684 2/20 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
SCHEMBL5267633 0.92 P2RY12 (0.69) P2RY12CYP2C9CYP3A4
SCHEMBL4098975 0.91 P2RY12 (0.79) P2RY12CYP2C9CYP3A4
SCHEMBL5592449 0.90 P2RY12 (0.69) P2RY12CYP2C9CYP3A4
SCHEMBL5065254 0.89 P2RY12 (0.55) P2RY12CYP2C9CYP3A4
SCHEMBL5264767 0.87 P2RY12 (0.80) P2RY12CYP2C9CYP3A4
SCHEMBL5264770 0.85 P2RY12 (0.61) P2RY12CYP2C9CYP3A4
SCHEMBL5267177 0.85 P2RY12 (0.69) P2RY12CYP2C9CYP3A4
SCHEMBL3590674 0.84 P2RY12 (0.66) P2RY12CYP2C9CYP3A4
SCHEMBL4105915 0.83 P2RY12 (0.80) P2RY12CYP2C9CYP3A4
SCHEMBL5269322 0.83 P2RY12 (0.64) P2RY12CYP2C9CYP3A4

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-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed