SCHEMBL6214522

SCHEMBL6214522

O=C(c1cccs1)c1nc(Cl)nc2ccsc12

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.71
ADORA1 P30542 14/20 0.71
ADORA2B P29275 4/20 0.54
HPGDS O60760 1/20 0.45

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
SCHEMBL2565551 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA2BHPGDS
SCHEMBL6859709 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA2BHPGDS
SCHEMBL6852833 0.82 ADORA2A (0.64) ADORA2AADORA1ADORA2B
SCHEMBL1780985 0.82 ADORA2A (0.60) ADORA2AADORA1ADORA2B
SCHEMBL6215714 0.82 ADORA2A (0.69) ADORA2AADORA1ADORA2BHPGDS
SCHEMBL6852899 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6852935 0.80 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL2563416 0.80 ADORA2A (0.77) ADORA2AADORA1ADORA2B
SCHEMBL2563509 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6859505 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2BHPGDS

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-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