SCHEMBL6675407

SCHEMBL6675407

CCCCCSN1CNC(=O)c2[nH]cnc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.36
GPR84 Q9NQS5 1/20 0.34
PAK1 Q13153 1/20 0.34
PDE4A P27815 5/20 0.33
ADORA2A P29274 5/20 0.33
PDE4B Q07343 5/20 0.33
PDE4C Q08493 5/20 0.33
PDE4D Q08499 5/20 0.33
ADORA2B P29275 2/20 0.33
ADORA3 P0DMS8 1/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
GDA Q9Y2T3 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL6672658 0.99 XDH (0.37) XDHGPR84PAK1PDE4AADORA2A
SCHEMBL6672677 0.96 XDH (0.34) XDHPDE4AADORA2APDE4BPDE4C
SCHEMBL6673799 0.85 GDA (0.33) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6673668 0.77 ADORA2B (0.40) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6673867 0.76 ADORA2B (0.42) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6673897 0.76 PDE4A (0.38) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6673659 0.74 ABL1 (0.40) ADORA2BADORA3
SCHEMBL6676174 0.72 HPRT1 (0.38) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6674432 0.70 GDA (0.38) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL9881684 0.64 GDA (0.33) GDA

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