SCHEMBL5599233

SCHEMBL5599233

CCOC(=O)c1cc(C#N)c(N2CC3CNC(OC(=O)C4=CC(C#N)=C(N5CC6CN(C(=O)NS(=O)(=O)c7ccccc7)CC6C5)NC4(C)C(=O)OC(C)(C)C)C3C2)nc1C

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.62

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
SCHEMBL5599236 0.79 P2RY12 (0.84) P2RY12
SCHEMBL4097633 0.79 P2RY12 (1.00) P2RY12
SCHEMBL4098057 0.70 P2RY12 (1.00) P2RY12
SCHEMBL4098256 0.69 P2RY12 (0.63) P2RY12
SCHEMBL4109623 0.69 P2RY12 (1.00) P2RY12
SCHEMBL4104695 0.69 P2RY12 (1.00) P2RY12
SCHEMBL4105389 0.68 P2RY12 (0.94) P2RY12
SCHEMBL4105011 0.68 P2RY12 (0.79) P2RY12
SCHEMBL4105040 0.67 P2RY12 (0.79) P2RY12
SCHEMBL4115405 0.66 P2RY12 (0.70) P2RY12

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-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed