SCHEMBL723276

SCHEMBL723276

Nc1nc(-c2n[nH]cc2N(C=O)Cc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.56
ADORA2B P29275 10/20 0.56
ADORA1 P30542 6/20 0.56
ADORA3 P0DMS8 5/20 0.49

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
SCHEMBL725880 0.89 ADORA2A (0.57) ADORA2AADORA2BADORA1ADORA3
SCHEMBL5034543 0.84 ADORA1 (0.58) ADORA2AADORA2BADORA1ADORA3
SCHEMBL465954 0.84 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3
SCHEMBL7394674 0.84 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3
Water SCHEMBL3630434 0.83 ADORA2A (0.55) ADORA2AADORA2BADORA1ADORA3
SCHEMBL271079 0.82 ADORA2A (0.61) ADORA2AADORA2BADORA1ADORA3
SCHEMBL5034075 0.78 ADORA1 (0.55) ADORA2AADORA2BADORA1ADORA3
SCHEMBL6582202 0.78 ADORA3 (0.54) ADORA2AADORA2BADORA1ADORA3
SCHEMBL272093 0.78 ADORA2A (0.69) ADORA2AADORA2BADORA1ADORA3
SCHEMBL5032115 0.78 ADORA1 (0.56) ADORA2AADORA2BADORA1ADORA3

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 3 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