SCHEMBL5065254

SCHEMBL5065254

N#Cc1cc(C(=O)O)c(C(F)F)nc1N1CC(C(=O)NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.55
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL5011855 0.92 P2RY12 (0.56) P2RY12CYP3A4CYP2C9
SCHEMBL3590674 0.90 P2RY12 (0.66) P2RY12CYP3A4CYP2C9
SCHEMBL5319003 0.89 P2RY12 (0.68) P2RY12CYP3A4CYP2C9
SCHEMBL3932700 0.86 P2RY12 (0.50) P2RY12CYP3A4CYP2C9
SCHEMBL3591830 0.83 P2RY12 (0.67) P2RY12CYP3A4CYP2C9
SCHEMBL4098975 0.82 P2RY12 (0.79) P2RY12CYP3A4CYP2C9
SCHEMBL5267633 0.81 P2RY12 (0.69) P2RY12CYP3A4CYP2C9
SCHEMBL3591353 0.80 P2RY12 (0.69) P2RY12CYP3A4CYP2C9
SCHEMBL3580934 0.79 P2RY12 (0.69) P2RY12CYP3A4CYP2C9
SCHEMBL5592449 0.78 P2RY12 (0.69) P2RY12CYP3A4CYP2C9

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-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed