SCHEMBL6672386

SCHEMBL6672386

COc1ccc(Cn2cnc(O)c3nc(C(C)(C)O)nc2-3)cc1OC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.58
PDE4B Q07343 20/20 0.58
PDE4C Q08493 20/20 0.58
PDE4D Q08499 20/20 0.58

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
SCHEMBL7205215 0.90 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7210441 0.89 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7206804 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672646 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672886 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7206086 0.86 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL7740523 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6674256 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7962091 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6155742 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP claimed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP claimed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP claimed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO claimed
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed