SCHEMBL6572841

SCHEMBL6572841

CCc1cnc([C@H]2O[C@@H](n3cnc4c(NCCS(=O)(=O)N(C)C)ncnc43)[C@@H](O)[C@@H]2O)o1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.47
ADORA3 P0DMS8 5/20 0.46
ADORA2A P29274 5/20 0.46
ADORA1 P30542 5/20 0.46
ADORA2B P29275 4/20 0.46
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
TSHR P16473 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL6572836 1.00 SLC29A1 (0.47) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6576713 0.90 SLC29A1 (0.48) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6576715 0.90 SLC29A1 (0.48) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6575684 0.86 ADORA3 (0.42) SLC29A1ADORA3PDE4APDE4BPDE4C
SCHEMBL6573836 0.80 ADORA3 (0.51) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6576814 0.80 SLC29A1 (0.47) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6576804 0.80 SLC29A1 (0.47) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6573247 0.78 ADORA3 (0.61) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6573236 0.78 ADORA3 (0.61) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6574236 0.77 TYMP (0.52) SLC29A1ADORA3ADORA2AADORA1ADORA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed