Sugi Predict

Sugi Predict / Compounds / SCHEMBL5318533

SCHEMBL5318533

SCHEMBL5318533

CCOC(=O)c1cc(C#N)c(N2CC3CC2CN3C(=O)NS(=O)(=O)c2ccc(Cl)s2)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 20/20 1.00
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49

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
SCHEMBL4103185 1.00 P2RY12 (1.00) P2RY12CYP3A4CYP2C9
SCHEMBL4099509 0.84 P2RY12 (1.00) P2RY12
SCHEMBL4097423 0.82 P2RY12 (1.00) P2RY12CYP3A4CYP2C9
SCHEMBL4103119 0.82 P2RY12 (1.00) P2RY12
SCHEMBL4098259 0.81 P2RY12 (1.00) P2RY12CYP3A4CYP2C9
SCHEMBL4105892 0.81 P2RY12 (0.80) P2RY12CYP3A4CYP2C9
SCHEMBL4105134 0.79 P2RY12 (0.81) P2RY12CYP3A4CYP2C9
SCHEMBL4115123 0.79 P2RY12 (1.00) P2RY12
SCHEMBL29258436 0.79 P2RY12 (0.91) P2RY12CYP3A4CYP2C9
SCHEMBL4104756 0.79 P2RY12 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

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