SCHEMBL7208637

SCHEMBL7208637

CCC(CC)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](c2nc(C)no2)[C@@H](O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.57
ADORA1 P30542 7/20 0.57
ADORA2A P29274 7/20 0.57
ADORA2B P29275 4/20 0.51
HTR2C P28335 2/20 0.51
TMIGD3 P0DMS9 1/20 0.51
HTR2B P41595 1/20 0.51
NT5E P21589 1/20 0.47

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
SCHEMBL7202140 0.90 ADORA1 (0.56) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL6796905 0.88 ADORA1 (0.56) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL7206711 0.85 ADORA1 (0.46) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL7587860 0.85 ADORA2A (0.44) ADORA1ADORA2AADORA2B
SCHEMBL7207670 0.85 ADORA2A (0.44) ADORA1ADORA2AADORA2B
Formic Acid SCHEMBL6574863 0.85 ADORA1 (0.52) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL7204932 0.84 ADORA2A (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7207666 0.84 ADORA2A (0.42) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL3914192 0.83 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL8090571 0.83 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2BHTR2C

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 4 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 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