SCHEMBL4078688

SCHEMBL4078688

[CH2]C(NC)NC=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL8880526 0.81
SCHEMBL8449882 0.70
SCHEMBL790312 0.69
SCHEMBL8532399 0.69
SCHEMBL16809938 0.67
SCHEMBL5240786 0.67
SCHEMBL5383115 0.65
SCHEMBL20576967 0.65
SCHEMBL27814687 0.65
SCHEMBL6514667 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731520-A1 Pyrrolo[2,3-d]pyrimidine derivatives which are antagonists of adenosine A1, A2A, and A3 OSI Pharmaceuticals, Inc. (US) 2006-12-13 EP claimed
US-6878716-B1 Compounds specific to adenosine A1 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2005-04-12 US claimed
US-6680322-B2 FOR THERAPY OF ASTHMA, ALLERGIC RHINITIS, RESPIRATORY SYSTEM DISORDERS OSI PHARMACEUTICALS, INC. 2004-01-20 US claimed
US-20030139427-A1 Bicyclic pyrimidinyl derivatives and methods of use thereof OSI PHARMACEUTICALS INC. 2003-07-24 US claimed
EP-1246623-A4 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2003-05-14 EP claimed
EP-1246623-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2002-10-09 EP claimed
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2002-05-16 US claimed
WO-2001039777-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1 A2A, AND A3 RECEPTORS AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2001-06-07 WO claimed
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
EP-1731520-A1 Pyrrolo[2,3-d]pyrimidine derivatives which are antagonists of adenosine A1, A2A, and A3 OSI Pharmaceuticals, Inc. (US) 2006-12-13 EP disclosed
CN-1263757-C Specific for adenosine A1,A2AAnd A3Receptor compounds and uses thereof OSI PHARMACENTICALS INC (US) 2006-07-12 CN disclosed
US-6878716-B1 Compounds specific to adenosine A1 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2005-04-12 US disclosed
EP-1347980-A4 COMPOUNDS SPECIFIC TO ADENOSINE-A1,-A2A, AND- A3-RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2005-02-09 EP disclosed
EP-1246623-A4 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2003-05-14 EP disclosed
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2003-03-06 US disclosed
EP-1246623-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2002-10-09 EP disclosed
WO-2002057267-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2002-07-25 WO disclosed
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2002-05-16 US disclosed
WO-2001039777-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1 A2A, AND A3 RECEPTORS AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2001-06-07 WO disclosed