SCHEMBL7530641

SCHEMBL7530641

CNS(=O)(=O)c1ccc(Nc2nc(C)nc3c2ncn3[C@@H]2O[C@H](COC)C(O)C2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.53
ADORA1 P30542 3/20 0.53
NT5E P21589 1/20 0.49
DNPH1 O43598 1/20 0.47
ADORA2A P29274 3/20 0.46
RNMT O43148 1/20 0.46

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
SCHEMBL7530639 1.00 ADORA3 (0.53) ADORA3ADORA1NT5EDNPH1ADORA2A
SCHEMBL7525284 0.87 ADORA3 (0.60) ADORA3ADORA1NT5EDNPH1ADORA2A
SCHEMBL7525293 0.87 ADORA3 (0.60) ADORA3ADORA1NT5EDNPH1ADORA2A
SCHEMBL7531052 0.86 ADORA3 (0.61) ADORA3ADORA1NT5EDNPH1ADORA2A
SCHEMBL7531045 0.86 ADORA3 (0.61) ADORA3ADORA1NT5EDNPH1ADORA2A
SCHEMBL7531983 0.83 ADORA1 (0.54) ADORA3ADORA1NT5EDNPH1ADORA2A
SCHEMBL7531978 0.83 ADORA1 (0.54) ADORA3ADORA1NT5EDNPH1ADORA2A
SCHEMBL8376487 0.83 ADORA3 (0.48) ADORA3ADORA1NT5EADORA2ARNMT
SCHEMBL7527254 0.82 ADORA3 (0.66) ADORA3ADORA1NT5EADORA2A
SCHEMBL7531527 0.82 ADORA3 (0.68) 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 5 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
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