SCHEMBL2561135

SCHEMBL2561135

CC(O)CNc1nc(C(=O)c2cccs2)c2sccc2n1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.76
ADORA1 P30542 11/20 0.76
ADORA2B P29275 9/20 0.63

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
SCHEMBL6216814 1.00 ADORA2A (0.76) ADORA2AADORA1ADORA2B
SCHEMBL2561131 1.00 ADORA2A (0.76) ADORA2AADORA1ADORA2B
SCHEMBL2560813 0.88 ADORA2A (0.72) ADORA2AADORA1ADORA2B
SCHEMBL2561122 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6859759 0.84 ADORA2A (0.72) ADORA2AADORA1ADORA2B
SCHEMBL6859383 0.83 ADORA2A (0.67) ADORA2AADORA1ADORA2B
SCHEMBL6859749 0.83 ADORA2A (0.77) ADORA2AADORA1ADORA2B
SCHEMBL6852763 0.83 ADORA2A (0.77) ADORA2AADORA1ADORA2B
SCHEMBL6213678 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL2557478 0.82 ADORA2A (0.69) 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