SCHEMBL6841471

SCHEMBL6841471

CCC(CC)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)N(C)OC)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.51
ADORA1 P30542 5/20 0.51
ADORA2A P29274 6/20 0.46
TMIGD3 P0DMS9 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
HRH2 P25021 1/20 0.45
HTR5A P47898 1/20 0.45
ADORA2B P29275 3/20 0.44

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
SCHEMBL7602106 0.88 ADORA2A (0.54) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL6839226 0.88 ADORA2A (0.54) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL6841470 0.86 ADORA3 (0.47) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL6839107 0.85 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7597688 0.83 ADORA3 (0.47) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL7103815 0.82 ADORA3 (0.48) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL8092182 0.81 ADORA3 (0.44) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL6839871 0.81 PI4KA (0.55) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL6839866 0.81 PI4KA (0.55) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL7762135 0.79 ADORA3 (0.46) ADORA3ADORA1ADORA2ATMIGD3HTR2C

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