SCHEMBL6675792

SCHEMBL6675792

COc1ccc(Cn2cnc(=O)c3[nH]c(C(C)C)nc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.50
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
KDM4E B2RXH2 2/20 0.42
NR3C1 P04150 1/20 0.42
MET P08581 1/20 0.42
CYP11B2 P19099 1/20 0.42
ADORA2A P29274 1/20 0.39
HPGD P15428 1/20 0.39
CMA1 P23946 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6674156 0.87 PNP (0.53) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL6677655 0.86 PDE4A (0.61) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL6675460 0.83 PDE4A (0.54) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL6674800 0.80 PNP (0.54) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL6675826 0.79 PDE4A (0.55) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL6155745 0.78 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL6673827 0.78 PDE5A (0.46) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL6677681 0.74 MET (0.46) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL30071914 0.71 CYP11B2 (0.51) KDM4ECYP11B2CMA1POLBMEN1
SCHEMBL13057471 0.71 PNP (0.53) PNPKDM4ENR3C1METADORA2A

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