SCHEMBL2576233

SCHEMBL2576233

Cc1ccsc1C(=O)c1nc(NCCCn2ccnc2)nc2ccsc12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.48
ADORA1 P30542 3/20 0.48
ADORA2B P29275 15/20 0.45
NAMPT P43490 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2563739 0.84 ADORA2A (0.69) ADORA2AADORA1ADORA2B
SCHEMBL2563559 0.80 ADORA2A (0.67) ADORA2AADORA1ADORA2B
SCHEMBL20784751 0.75 ADORA2B (0.64) ADORA2AADORA2B
SCHEMBL3673822 0.74 ADORA2A (0.62) ADORA2AADORA1ADORA2B
SCHEMBL6859712 0.73 ADORA2A (0.76) ADORA2AADORA1ADORA2B
SCHEMBL3671996 0.73 ADORA2A (0.61) ADORA2AADORA1NAMPT
SCHEMBL3682979 0.73 ADORA2A (0.63) ADORA2AADORA1NAMPTSMN1; SMN2
SCHEMBL20784558 0.68 ADORA2B (0.73) ADORA2AADORA1ADORA2B
SCHEMBL6852772 0.66 ADORA2A (0.74) ADORA2AADORA1ADORA2B
SCHEMBL4288284 0.66 SOD1 (0.52)

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