SCHEMBL2581885

SCHEMBL2581885

O=C(NCCNc1nc(C(=O)c2cccs2)c2sccc2n1)NCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.79
ADORA1 P30542 9/20 0.79
ADORA2B P29275 12/20 0.64
ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL6216214 0.92 ADORA2A (0.79) ADORA2AADORA1ADORA2BADORA3
SCHEMBL6858372 0.89 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL6859372 0.87 ADORA2A (0.69) ADORA2AADORA1ADORA2B
SCHEMBL6216365 0.87 ADORA2A (0.78) ADORA2AADORA1ADORA2B
SCHEMBL6860895 0.85 ADORA2A (0.72) ADORA2AADORA1ADORA2B
SCHEMBL6859817 0.85 ADORA2A (0.78) ADORA2AADORA1ADORA2B
SCHEMBL6212498 0.85 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3
SCHEMBL6214350 0.84 ADORA2A (0.76) ADORA2AADORA1ADORA2B
SCHEMBL6216827 0.82 ADORA2A (0.67) ADORA2AADORA1ADORA2B
SCHEMBL6213678 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA2B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192164-B1 THIENO- AND FUROPYRIMIDINE DERIVATIVES AS A2A-RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2005-08-17 EP claimed
US-6787541-B1 MOVEMENT DISORDERS, PARKINSON'S DISEASE VERNALIS RESEARCH LIMITED (GB) 2004-09-07 US claimed
EP-1192164-A1 THIENO- AND FUROPYRIMIDINE DERIVATIVES AS A2A-RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-04-03 EP claimed
WO-2001002409-A1 THIENO- AND FUROPYRIMIDINE DERIVATIVES AS A2A-RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2001-01-11 WO claimed
WO-2011133696-A2 METHODS OF SUPPRESSING ATHEROSCLEROSIS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-10-27 WO disclosed
EP-1192164-B1 THIENO- AND FUROPYRIMIDINE DERIVATIVES AS A2A-RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2005-08-17 EP disclosed
US-6787541-B1 MOVEMENT DISORDERS, PARKINSON'S DISEASE VERNALIS RESEARCH LIMITED (GB) 2004-09-07 US disclosed
EP-1192164-A1 THIENO- AND FUROPYRIMIDINE DERIVATIVES AS A2A-RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-04-03 EP disclosed
WO-2001002409-A1 THIENO- AND FUROPYRIMIDINE DERIVATIVES AS A2A-RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2001-01-11 WO disclosed