SCHEMBL7526517

SCHEMBL7526517

CCc1nc(Nc2ccc(O)c(F)c2)c2ncn([C@@H]3O[C@H](COC)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.77
ADORA1 P30542 3/20 0.77
ADORA2A P29274 3/20 0.49
NT5E P21589 2/20 0.49

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
SCHEMBL7526523 1.00 ADORA3 (0.77) ADORA3ADORA1ADORA2ANT5E
SCHEMBL7529814 0.90 ADORA3 (0.62) ADORA3ADORA1ADORA2ANT5E
SCHEMBL7529806 0.90 ADORA3 (0.62) ADORA3ADORA1ADORA2ANT5E
SCHEMBL7526882 0.90 ADORA3 (0.79) ADORA3ADORA1ADORA2ANT5E
Gr-190178 SCHEMBL6559907 0.87 ADORA3 (1.00) ADORA3ADORA1
Gr-190178 SCHEMBL6559897 0.87 ADORA3 (1.00) ADORA3ADORA1
SCHEMBL7531536 0.83 ADORA3 (0.68) ADORA3ADORA1ADORA2ANT5E
SCHEMBL7531527 0.83 ADORA3 (0.68) ADORA3ADORA1ADORA2ANT5E
SCHEMBL7527254 0.82 ADORA3 (0.66) ADORA3ADORA1ADORA2ANT5E
SCHEMBL7527246 0.82 ADORA3 (0.66) ADORA3ADORA1ADORA2ANT5E

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-0901499-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2002-04-10 EP claimed
US-5998388-A N6-PHENYL-SUBSTITUTED GLAXO WELLCOME INC. (US) 1999-12-07 US claimed
EP-0901499-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-17 EP claimed
WO-1997043300-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1997-11-20 WO claimed
EP-0901499-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2002-04-10 EP disclosed
US-5998388-A N6-PHENYL-SUBSTITUTED GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
EP-0901499-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043300-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1997-11-20 WO disclosed