SCHEMBL7103326

SCHEMBL7103326

CCc1nc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCc5cn(C)cn5)nc43)[C@H](O)[C@@H]2O)no1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.59
ADORA3 P0DMS8 5/20 0.59
ADORA2B P29275 3/20 0.56
ADORA1 P30542 3/20 0.56
PGK1 P00558 1/20 0.49
PGK2 P07205 1/20 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
Formic Acid SCHEMBL7100387 0.97 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7100393 0.91 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7100389 0.91 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7098440 0.88 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7206736 0.88 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7103693 0.87 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7205271 0.87 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7098940 0.87 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7452812 0.86 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7208192 0.86 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1PGK1

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-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP claimed
WO-2002067909-A1 NEW METHOD OF BRONCHODILATORY THERAPY GLAXO GROUP LIMITED (GB) 2002-09-06 WO disclosed