SCHEMBL4374282

SCHEMBL4374282

Nc1cnn(-c2nc(N(CO)CCc3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)CO)[C@@H](O)[C@H]4O)c3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.42
ADORA3 P0DMS8 10/20 0.39

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
SCHEMBL241876 0.81 ADORA2A (0.50) ADORA2AADORA3
SCHEMBL1840877 0.81 ADORA2A (0.50) ADORA2AADORA3
SCHEMBL293561 0.80 ADORA2A (0.55) ADORA2AADORA3
SCHEMBL293560 0.80 ADORA2A (0.55) ADORA2AADORA3
SCHEMBL241166 0.80 ADORA2A (0.55) ADORA2AADORA3
SCHEMBL241667 0.76 ADORA2A (0.49) ADORA2AADORA3
SCHEMBL239220 0.74 ADORA2A (0.64) ADORA2AADORA3
SCHEMBL3010957 0.72 ADORA2A (0.46) ADORA2AADORA3
SCHEMBL10158798 0.72 ADORA2A (0.46) ADORA2AADORA3
SCHEMBL291925 0.71 ADORA2A (0.55) ADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018388-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
WO-2007121924-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed