SCHEMBL3423089

SCHEMBL3423089

Nc1nc(NC(=O)c2cn[nH]c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.68
ADORA2B P29275 4/20 0.68
ADORA3 P0DMS8 6/20 0.66
ADORA1 P30542 6/20 0.66
CYP1A2 P05177 2/20 0.61
THPO P40225 1/20 0.61
MEN1 O00255 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.61
BLM P54132 1/20 0.61

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
SCHEMBL5034419 0.84 ADORA3 (0.70) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL5034108 0.84 ADORA3 (0.70) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL11516417 0.84 ADORA2A (0.77) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL11516427 0.84 ADORA2A (0.77) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL5034551 0.83 ADORA3 (0.69) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL13437799 0.82 ADORA2A (0.68) ADORA2AADORA2BADORA3ADORA1
SCHEMBL272915 0.82 ADORA2A (0.68) ADORA2AADORA2BADORA3ADORA1
SCHEMBL13403870 0.82 ADORA2A (0.68) ADORA2AADORA2BADORA3ADORA1
SCHEMBL19204725 0.82 ADORA2A (0.60) ADORA2AADORA2BADORA3ADORA1
SCHEMBL24652562 0.81 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1

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 9 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-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