SCHEMBL725880

SCHEMBL725880

CCN(C=O)c1c[nH]nc1-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.57
ADORA2B P29275 6/20 0.57
ADORA3 P0DMS8 2/20 0.57
ADORA1 P30542 1/20 0.57
LMNA P02545 1/20 0.54
NT5E P21589 1/20 0.54
HIF1A Q16665 1/20 0.54

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
SCHEMBL465954 0.92 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1LMNA
Water SCHEMBL3630434 0.91 ADORA2A (0.55) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL7394674 0.90 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1
SCHEMBL723276 0.89 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5035415 0.84 ADORA3 (0.59) ADORA2AADORA2BADORA3ADORA1NT5E
SCHEMBL5034054 0.84 ADORA3 (0.59) ADORA2AADORA2BADORA3ADORA1NT5E
SCHEMBL723979 0.83 ADORA2A (0.62) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL22567702 0.83 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL5040384 0.82 ADORA1 (0.61) ADORA2AADORA2BADORA3ADORA1NT5E
SCHEMBL3422920 0.82 ADORA2A (0.58) ADORA2AADORA2BADORA3ADORA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4727880-B2 2011-07-20 JP claimed
JP-2003506461-A 2003-02-18 JP claimed
EP-1189916-A2 N-PYRAZOLE A 2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2002-03-27 EP claimed
WO-2000078779-A2 N-PYRAZOLE A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2000-12-28 WO claimed
EP-2608794-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY Northeastern University (US) 2013-07-03 EP disclosed
WO-2012027695-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY NORTHEASTERN UNIVERSITY (US) 2012-03-01 WO disclosed
WO-2010065959-A1 METHOD OF PREPARING ADENOSINE-RESISTANT ANTI-TUMOR T LYMPHOCYTES FOR ADOPTIVE IMMUNOTHERAPY NORTHEASTERN UNIVERSITY (US) 2010-06-10 WO disclosed
EP-2099360-A2 MYOCARDIAL PERFUSION IMAGING CV Therapeutics Inc. (US) 2009-09-16 EP disclosed
EP-2066232-A1 METHODS FOR MYOCARDIAL IMAGING IN PATIENTS HAVING A HISTORY OF PULMONARY DISEASE CV THERAPEUTICS, INC. (US) 2009-06-10 EP disclosed
WO-2008086096-A2 MYOCARDIAL PERFUSION IMAGING CV THERAPEUTICS, INC. (US) 2008-07-17 WO disclosed
WO-2008042796-A2 METHODS FOR MYOCARDIAL IMAGING IN PATIENTS HAVING A HISTORY OF PULMONARY DISEASE CV THERAPEUTICS, INC. (US) 2008-04-10 WO disclosed
EP-1524984-A1 MYOCARDIAL PERFUSION IMAGING USING A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2005-04-27 EP disclosed
WO-2004011010-A1 MYOCARDIAL PERFUSION IMAGING USING A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2004-02-05 WO disclosed
EP-1189916-A2 N-PYRAZOLE A 2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2002-03-27 EP disclosed
WO-2000078779-A2 N-PYRAZOLE A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2000-12-28 WO disclosed