SCHEMBL6672680

SCHEMBL6672680

CCCCn1cnc(=S)c2[nH]cnc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
ADORA2A P29274 7/20 0.47
PDE4A P27815 6/20 0.47
PDE4B Q07343 6/20 0.47
PDE4C Q08493 6/20 0.47
PDE4D Q08499 6/20 0.47
ADORA2B P29275 4/20 0.46
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
PTGS1 P23219 1/20 0.41
HBB P68871 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6675413 0.95 KMT2A (0.50) GAAADORA2APDE4APDE4BPDE4C
SCHEMBL6672664 0.94 ADORA2B (0.51) GAAADORA2APDE4APDE4BPDE4C
SCHEMBL6673807 0.83 KDM4E (0.46) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6673901 0.83 ADORA2A (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6676143 0.80 ADORA2B (0.46) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6673671 0.79 ADORA2B (0.55) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6673871 0.78 ADORA2B (0.57) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6675472 0.76 ALDH1A1 (0.39) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6676183 0.73 PDE4A (0.53) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL21127947 0.72 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