SCHEMBL1070666

SCHEMBL1070666

CCCc1nc(N)c2ncn([C@]3(c4ccccc4)O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.49
ADORA1 P30542 1/20 0.49
ADORA2A P29274 3/20 0.41
ADORA2B P29275 2/20 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
SCHEMBL1434028 0.83 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7793907 0.79 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL23620984 0.74 ADORA3 (0.45) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL9491636 0.73 ADORA3 (0.47) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7165627 0.72 ADORA3 (0.44) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL3514758 0.72 SLC28A2 (0.45) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL30313460 0.72 CYP1A2 (0.31)
SCHEMBL27687690 0.71 CD99 (0.47) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL13268870 0.71 ADORA2A (0.41) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL9341012 0.71 PI4KA (0.43) ADORA3ADORA1ADORA2AADORA2B

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130064816-A1 TNF-alpha ANTAGONISTS AND METHOTREXATE IN THE TREATMENT OF TNF-MEDIATED DISEASE THE MATHILDA AND TERENCE KENNEDY INSTITUTE OF RHEUMATOLOGY TRUST 2013-03-14 US disclosed
US-8383120-B2 Concomitant treatment of rheumatoid arthritis with anti-TNF-alpha antibodies and methotrexate THE MATHILDA AND TERENCE KENNEDY INSTITUTE OF RHEUMATOLOGY TRUST (GB) 2013-02-26 US disclosed
US-8298537-B2 Concomitant treatment of rheumatoid arthritis with anti-TNF-α antibodies and methotrexate THE MATHILDA AND TERENCE KENNEDY INSTITUTE OF RHEUMATOLOGY TRUST (GB) 2012-10-30 US disclosed
US-20120141475-A1 TNF-alpha Antagonists and Methotrexate in the Treatment of TNF-Mediated Disease THE MATHILDA AND TERENCE KENNEDY INSTITUTE OF RHEUMATOLOGY TRUST 2012-06-07 US disclosed
US-20120141474-A1 TNF-alpha Antagonists and Methotrexate in the Treatment of TNF-Mediated Disease THE MATHILDA AND TERENCE KENNEDY INSTITUTE OF RHEUMATOLOGY TRUST 2012-06-07 US disclosed
US-20110014188-A1 TNFalpha antagonists and methotrexate in the treatment of TNF-mediated disease The Kennedy Institute of Rheumotology 2011-01-20 US disclosed
US-7838489-B2 Methods of treating rheumatoid arthritis with p75 TNF-alpha receptor and methotrexate THE MATHILDA AND TERENCE KENNEDY INSTITUTE OF RHEUMATOLOGY TRUST (GB) 2010-11-23 US disclosed
US-7608262-B2 Methods of preventing or treating thrombosis with tumor necrosis factor antagonists THE KENNEDY INSTITUTE OF RHEUMATOLOGY (GB) 2009-10-27 US disclosed
US-20090263388-A1 Methods of preventing or treating cardiovascular, cerebrovascular and thrombotic disorders with tumor necrosis factor antagonists THE KENNEDY INSTITUTE OF RHEUMATOLOGY 2009-10-22 US disclosed
US-20090175859-A1 TNFalpha antagonists and methotrexate in the treatment of TNF-mediated disease THE KENNEDY INSTITUTE OF RHEUMATOLOGY 2009-07-09 US disclosed
EP-0936923-A1 SUPPRESSION OF TNF $g(a) AND IL-12 IN THERAPY KENNEDY INSTITUTE OF RHEUMATOLOGY (GB) 1999-08-25 EP disclosed
EP-0914157-A1 ANTI-TNF ANTIBODIES AND METHOTREXATE IN THE TREATMENT OF AUTOIMMUNE DISEASE THE KENNEDY INSTITUTE OF RHEUMATOLOGY (GB) 1999-05-12 EP disclosed
EP-0882067-A2 METHODS OF TREATING VASCULAR DISEASE WITH TNF ANTAGONISTS THE KENNEDY INSTITUTE OF RHEUMATOLOGY (GB) 1998-12-09 EP disclosed
WO-1998039008-A1 METHODS AND COMPOSITIONS FOR PROTECTING AGAINST CARDIAC ISCHEMIA BY ADMINISTERING ADENOSINE A2A RECEPTOR ANTAGONISTS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-09-11 WO disclosed
WO-1998022137-A1 SUPPRESSION OF TNF α AND IL-12 IN THERAPY THE KENNEDY INSTITUTE OF RHEUMATOLOGY (GB) 1998-05-28 WO disclosed
WO-1998005357-A1 ANTI-TNF ANTIBODIES AND METHOTREXATE IN THE TREATMENT OF AUTOIMMUNE DISEASE THE KENNEDY INSTITUTE OF RHEUMATOLOGY (GB) 1998-02-12 WO disclosed
WO-1997030088-A2 METHODS OF TREATING VASCULAR DISEASE WITH TNF ANTAGONISTS THE KENNEDY INSTITUTE OF RHEUMATOLOGY (GB) 1997-08-21 WO disclosed
EP-0383759-A4 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS 1993-03-17 EP disclosed
EP-0383759-A1 N6 SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS Whitby Research Incorporated (US) 1990-08-29 EP disclosed
WO-1988008303-A1 N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1988-11-03 WO disclosed