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Sugi Predict / Compounds / SCHEMBL4012196

SCHEMBL4012196

SCHEMBL4012196

CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3cccc(Cl)c3)C2)nc1C(F)(F)F.CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3Cl)C2)nc1C(F)(F)F.O=C(O)c1cccnc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 20/20 0.61
▸ CYP3A4 P08684 3/20 0.56
▸ CYP2C9 P11712 3/20 0.56
▸ CHRM2 P08172 1/20 0.52
▸ DRD3 P35462 1/20 0.52

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
SCHEMBL4007686 0.94 P2RY12 (0.69) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4009665 0.90 P2RY12 (0.70) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3586224 0.89 P2RY12 (0.75) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4011120 0.89 P2RY12 (0.62) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3591819 0.88 P2RY12 (0.71) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4009131 0.86 P2RY12 (0.57) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3596659 0.85 P2RY12 (0.81) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4012179 0.84 P2RY12 (0.60) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3590373 0.84 P2RY12 (0.67) P2RY12CYP3A4CYP2C9
SCHEMBL3590362 0.83 P2RY12 (0.70) P2RY12CYP3A4CYP2C9CHRM2DRD3

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-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 — — EP disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 — — WO disclosed