SCHEMBL3422920

SCHEMBL3422920

Nc1nc(-c2n[nH]cc2C(=O)O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.58
ADORA2B P29275 5/20 0.58
LMNA P02545 1/20 0.58
NT5E P21589 1/20 0.58
HIF1A Q16665 1/20 0.58
ADORA3 P0DMS8 3/20 0.58
ADORA1 P30542 2/20 0.57

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
SCHEMBL723979 0.91 ADORA2A (0.62) ADORA2AADORA2BLMNANT5EHIF1A
SCHEMBL725702 0.89 ADORA2A (0.63) ADORA2AADORA2BLMNANT5EHIF1A
SCHEMBL3422427 0.84 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5034102 0.83 ADORA3 (0.63) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5032143 0.83 ADORA3 (0.62) ADORA2AADORA2BADORA3ADORA1
SCHEMBL22567702 0.83 ADORA2A (0.56) ADORA2AADORA2BLMNANT5EHIF1A
SCHEMBL465954 0.82 ADORA2A (0.56) ADORA2AADORA2BLMNANT5EHIF1A
SCHEMBL725880 0.82 ADORA2A (0.57) ADORA2AADORA2BLMNANT5EHIF1A
SCHEMBL271079 0.82 ADORA2A (0.61) ADORA2AADORA2BLMNANT5EHIF1A
SCHEMBL1382431 0.82 ADORA2A (0.57) ADORA2AADORA2BLMNANT5EHIF1A

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
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-2056834-A1 METHODS AND COMPOSITIONS FOR INCREASING PATIENT TOLERABILITY DURING MYOCARDIAL IMAGING METHODS CV THERAPEUTICS, INC. (US) 2009-05-13 EP disclosed
WO-2008086096-A2 MYOCARDIAL PERFUSION IMAGING CV THERAPEUTICS, INC. (US) 2008-07-17 WO disclosed
WO-2008028140-A1 METHODS AND COMPOSITIONS FOR INCREASING PATIENT TOLERABILITY DURING MYOCARDIAL IMAGING METHODS CV THERAPEUTICS, INC. (US) 2008-03-06 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