SCHEMBL6673901

SCHEMBL6673901

CCCCn1cnc(=O)c2[nH]cnc21

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.52
PDE4A P27815 10/20 0.52
PDE4B Q07343 10/20 0.52
PDE4C Q08493 10/20 0.52
PDE4D Q08499 10/20 0.52
ADORA2B P29275 7/20 0.51
ADORA3 P0DMS8 2/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
ADORA1 P30542 1/20 0.44
BLM P54132 1/20 0.44
PDE3A Q14432 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6673671 0.95 ADORA2B (0.55) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6673871 0.94 ADORA2B (0.57) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6676183 0.91 PDE4A (0.53) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6673126 0.84 ADORA2A (0.49) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6672680 0.83 GAA (0.49) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6679184 0.81 ADORA2B (0.51) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6675413 0.79 KMT2A (0.50) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6672664 0.78 ADORA2B (0.51) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6674167 0.77 ADORA2A (0.43) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL22017431 0.77 HPRT1 (0.68) ADORA2A

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