SCHEMBL6839103

SCHEMBL6839103

CCC(CC)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](c2cc(C(C)O)no2)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.54
ADORA1 P30542 6/20 0.54
ADORA2A P29274 5/20 0.54
ADORA2B P29275 2/20 0.49
HTR2C P28335 2/20 0.49
TMIGD3 P0DMS9 1/20 0.49
HTR2B P41595 1/20 0.49
NT5E P21589 2/20 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
SCHEMBL3914182 0.88 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL8090571 0.88 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL3914192 0.88 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2BHTR2C
Formic Acid SCHEMBL6574660 0.83 ADORA2A (0.53) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL6878900 0.82 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL6839843 0.82 ADORA2A (0.53) ADORA3ADORA2A
SCHEMBL7598401 0.82 ADORA2A (0.53) ADORA3ADORA2A
SCHEMBL7208637 0.82 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL6835019 0.82 ADORA2A (0.49) ADORA3ADORA1ADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL6839083 0.81 ADORA1 (0.51) 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-6762170-B1 ANTIINFLAMMATORY AGENTS INHIBIT LEUKOCYTE RECRUITMENT AND ACTIVATION AND ARE AGONISTS OF THE ADENOSINE 2A RECEPTOR; PENDANT ISOXAZOLE; REACTING A 2,6-DIAMINOPURINE WITH A 2-(3-SUBSTITUTED ISOXAZOL-5-YL)TETRAHYDROFURAN-3,4-DIOL SMITHKLINEBEECHAM CORPORATION 2004-07-13 US disclosed
EP-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP disclosed
EP-1051425-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-11-15 EP disclosed
WO-1999038877-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-05 WO disclosed