SCHEMBL6573836

SCHEMBL6573836

CCc1cnc([C@H]2O[C@@H](n3cnc4c(NCC(O)CO)ncnc43)[C@H](O)[C@@H]2O)o1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.51
ADORA2A P29274 3/20 0.51
ADORA1 P30542 3/20 0.51
ADORA2B P29275 2/20 0.51
SLC29A1 Q99808 1/20 0.48

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
SCHEMBL6576715 0.81 SLC29A1 (0.48) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6576713 0.81 SLC29A1 (0.48) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6572836 0.80 SLC29A1 (0.47) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6572841 0.80 SLC29A1 (0.47) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6573247 0.80 ADORA3 (0.61) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6573236 0.80 ADORA3 (0.61) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6574236 0.80 TYMP (0.52) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6572907 0.80 ADORA3 (0.65) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6572805 0.79 ADORA2A (0.64) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL10602647 0.79 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2BSLC29A1

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