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SCHEMBL7087614

SCHEMBL7087614

CC(=O)OCCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCN5CCCCC5)nc43)[C@H](OC(=O)C(F)(F)F)[C@H]2OC(=O)C(F)(F)F)n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 0.57
▸ ADORA3 P0DMS8 5/20 0.41
▸ ADORA2B P29275 5/20 0.41
▸ ADORA1 P30542 5/20 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
SCHEMBL7084230 0.93 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7222074 0.93 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7090209 0.92 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7087854 0.90 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7089549 0.90 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7084965 0.89 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7656529 0.88 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL7222072 0.82 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL7084227 0.82 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL7090204 0.82 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1

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
EP-1090022-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-08-06 — — EP disclosed
US-6495528-B1 ANTIINFLAMMATORY AGENTS; INHIBITING LEUKOCYTE RECRUITMENT AND ACTIVATION; AGONISTS OF ADENOSINE 2A RECEPTOR SMITHKLINE BEECHAM CORPORATION 2002-12-17 — — US disclosed
EP-1090022-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 — — EP disclosed
WO-1999067265-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 — — WO disclosed