SCHEMBL6214643

SCHEMBL6214643

O=C(c1cccs1)c1nc(NCc2ccccn2)nc2ccsc12

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.75
ADORA2B P29275 10/20 0.75
ADORA1 P30542 10/20 0.73

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
SCHEMBL20784504 0.84 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL6858372 0.84 ADORA2A (1.00) ADORA2AADORA2BADORA1
SCHEMBL2561122 0.82 ADORA2A (1.00) ADORA2AADORA2BADORA1
SCHEMBL6859749 0.81 ADORA2A (0.77) ADORA2AADORA2BADORA1
SCHEMBL6213678 0.81 ADORA2A (1.00) ADORA2AADORA2BADORA1
SCHEMBL6852763 0.81 ADORA2A (0.77) ADORA2AADORA2BADORA1
SCHEMBL6215001 0.80 ADORA2A (0.81) ADORA2AADORA2BADORA1
SCHEMBL20784762 0.79 ADORA2B (1.00) ADORA2AADORA2B
SCHEMBL3705263 0.79 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL6858352 0.79 ADORA2A (0.73) ADORA2AADORA2BADORA1

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
EP-1192164-B1 THIENO- AND FUROPYRIMIDINE DERIVATIVES AS A2A-RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2005-08-17 EP 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
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