SCHEMBL7529614

SCHEMBL7529614

COC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(O)c(Cl)c4)nc(C)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.64
ADORA1 P30542 2/20 0.64
NT5E P21589 1/20 0.48
ADORA2A P29274 4/20 0.47

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
SCHEMBL7529624 1.00 ADORA3 (0.64) ADORA3ADORA1NT5EADORA2A
SCHEMBL7527254 0.92 ADORA3 (0.66) ADORA3ADORA1NT5EADORA2A
SCHEMBL7527246 0.92 ADORA3 (0.66) ADORA3ADORA1NT5EADORA2A
SCHEMBL7529814 0.90 ADORA3 (0.62) ADORA3ADORA1NT5EADORA2A
SCHEMBL7529806 0.90 ADORA3 (0.62) ADORA3ADORA1NT5EADORA2A
SCHEMBL7526882 0.90 ADORA3 (0.79) ADORA3ADORA1NT5EADORA2A
SCHEMBL6657691 0.88 ADORA3 (0.81) ADORA3ADORA1
SCHEMBL6657697 0.88 ADORA3 (0.81) ADORA3ADORA1
SCHEMBL7525284 0.88 ADORA3 (0.60) ADORA3ADORA1NT5EADORA2A
SCHEMBL7525293 0.88 ADORA3 (0.60) ADORA3ADORA1NT5EADORA2A

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 6 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-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