SCHEMBL6839241

SCHEMBL6839241

CCc1cc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.49
ADORA3 P0DMS8 7/20 0.49
ADORA2B P29275 7/20 0.49
ADORA1 P30542 7/20 0.49
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 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
Formic Acid SCHEMBL6839784 0.97 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839787 0.91 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6841624 0.90 ADORA2A (0.43) ADORA2AADORA2BADORA1PGK1PGK2
SCHEMBL7105567 0.89 ADORA2A (0.50) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL6839818 0.87 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7595821 0.87 ADORA2A (0.44) ADORA2AADORA2BADORA1
SCHEMBL6841745 0.86 ADORA3 (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7102323 0.86 ADORA2A (0.50) ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7104995 0.86 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103945 0.85 ADORA2A (0.50) ADORA2AADORA3ADORA2BADORA1PGK1

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 7 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 claimed
WO-2003080604-A1 DIHYDROISOXAZOLYL SUBSTITUTED TETRAHYDROFURAN COOMPOUNDS AS INTERMEDIATES IN THE PREPARATION OF 2-(PURIN-9-YL) - TETRAHYDROFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-02 WO claimed
EP-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP claimed
EP-1051425-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-11-15 EP claimed
WO-1999038877-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-05 WO claimed
WO-2003080604-A1 DIHYDROISOXAZOLYL SUBSTITUTED TETRAHYDROFURAN COOMPOUNDS AS INTERMEDIATES IN THE PREPARATION OF 2-(PURIN-9-YL) - TETRAHYDROFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-02 WO disclosed
WO-2002036816-A2 METHOD OF DETERMINING SUSCEPTIBILITY TO DISEASES GLAXO GROUP LIMITED (GB) 2002-05-10 WO disclosed