SCHEMBL3826795

SCHEMBL3826795

CC1=NCC(=O)N=C1

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
SCHEMBL15907998 0.62
SCHEMBL13102450 0.60
SCHEMBL1666018 0.60
SCHEMBL256335 0.58
SCHEMBL11338059 0.56
SCHEMBL791698 0.56
SCHEMBL1292766 0.56
SCHEMBL1336592 0.54
SCHEMBL2666331 0.54
SCHEMBL7703054 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103140221-A Novel heterocyclic derivatives and pharmaceutical composition containing same SHIONOGI & CO 2013-06-05 CN disclosed
EP-1414825-B9 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
EP-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
CN-1324033-C Thieno [2, 3-d ] pyrimidinediones and their use in the modulation of autoimmune diseases ASTRAZENECA AB (SE) 2007-07-04 CN disclosed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 US disclosed
CN-1538970-A Thieno [2, 3-d ] pyrimidinediones and their use in the modulation of autoimmune diseases 2004-10-20 CN disclosed
EP-1414825-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 WO disclosed