SCHEMBL723979

SCHEMBL723979

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.62
ADORA2B P29275 6/20 0.58
ADORA3 P0DMS8 2/20 0.57
ADORA1 P30542 1/20 0.57
LMNA P02545 1/20 0.55
NT5E P21589 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL3422920 0.91 ADORA2A (0.58) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL725702 0.88 ADORA2A (0.63) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL465954 0.85 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1LMNA
Water SCHEMBL3630434 0.84 ADORA2A (0.55) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL3422427 0.84 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1
SCHEMBL725880 0.83 ADORA2A (0.57) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL1377204 0.81 ADORA2A (0.61) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL272584 0.81 ADORA2A (0.61) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL2367601 0.81 ADORA2A (0.61) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL22567702 0.81 ADORA2A (0.56) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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