SCHEMBL7207963

SCHEMBL7207963

CCC(CC)Nc1nc(N(CO)CCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](c2nc(C)no2)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.44
ADORA2B P29275 5/20 0.44
ADORA1 P30542 1/20 0.44
PGK1 P00558 1/20 0.41
PGK2 P07205 1/20 0.41

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 SCHEMBL7566394 0.97 ADORA2A (0.45) ADORA2AADORA2BADORA1
SCHEMBL7566399 0.92 ADORA2A (0.41) ADORA2AADORA2BADORA1
SCHEMBL7207666 0.88 ADORA2A (0.42) ADORA2AADORA2BADORA1
SCHEMBL6841624 0.87 ADORA2A (0.43) ADORA2AADORA2BADORA1PGK1PGK2
SCHEMBL7203734 0.86 ADORA3 (0.50) ADORA2AADORA2BADORA1
Formic Acid SCHEMBL7208762 0.85 ADORA2A (0.43) ADORA2AADORA2B
Formic Acid SCHEMBL7595821 0.84 ADORA2A (0.44) ADORA2AADORA2BADORA1
Formic Acid SCHEMBL7202947 0.83 ADORA3 (0.47) ADORA2AADORA2BADORA1
SCHEMBL7587828 0.82 ADORA2A (0.57) ADORA2AADORA2BADORA1
SCHEMBL7207964 0.82 ADORA2A (0.57) ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US claimed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP claimed
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP disclosed
EP-1056759-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-12-06 EP disclosed
WO-1999041267-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-19 WO disclosed