SCHEMBL6675413

SCHEMBL6675413

CCCCCn1cnc(=S)c2[nH]cnc21

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
ADORA2B P29275 3/20 0.49
GAA P10253 1/20 0.45
ADORA2A P29274 6/20 0.43
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
HPRT1 P00492 1/20 0.41
PNP P00491 1/20 0.41
TLR8 Q9NR97 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40
HBB P68871 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6672664 0.98 ADORA2B (0.51) KMT2AADORA2BGAAADORA2APDE4A
SCHEMBL6672680 0.95 GAA (0.49) KMT2AADORA2BGAAADORA2APDE4A
SCHEMBL6673671 0.84 ADORA2B (0.55) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL6673871 0.82 ADORA2B (0.57) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL6673807 0.82 KDM4E (0.46) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL6673901 0.79 ADORA2A (0.52) KMT2AADORA2BADORA2APDE4APDE4B
SCHEMBL6676143 0.79 ADORA2B (0.46) KMT2AADORA2BADORA2APDE4APDE4B
SCHEMBL22017431 0.77 HPRT1 (0.68) ADORA2AHPRT1PNP
SCHEMBL21127947 0.77 HPRT1 (0.68) ADORA2AHPRT1PNP
SCHEMBL6675472 0.75 ALDH1A1 (0.39) KMT2AADORA2BADORA2APDE4APDE4B

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