SCHEMBL112396

SCHEMBL112396

BrC12CCCC(CC1)C2

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
SCHEMBL9877619 0.95
SCHEMBL2398417 0.89
SCHEMBL1819721 0.70
SCHEMBL12969947 0.69
SCHEMBL1848719 0.68 MAPK1 (0.31)
SCHEMBL31579237 0.67
SCHEMBL15848301 0.65
SCHEMBL8050366 0.64
SCHEMBL8052424 0.63
SCHEMBL108199 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937267-A4 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-08-26 EP claimed
EP-1937267-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-07-02 EP claimed
WO-2007016639-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO claimed
EP-3497100-A1 CHEMICAL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-06-19 EP disclosed
EP-3414228-A1 CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-12-19 EP disclosed
WO-2018029126-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-15 WO disclosed
WO-2017137535-A1 CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-17 WO disclosed
EP-3057587-A1 PI3K INHIBITOR FOR TREATMENT OF RESPIRATORY DISEASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-08-24 EP disclosed
EP-3057588-A1 PI3K INHIBITOR FOR TREATMENT OF RESPIRATORY DISEASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-08-24 EP disclosed
WO-2015055690-A1 PI3K INHIBITOR FOR TREATMENT OF RESPIRATORY DISEASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-04-23 WO disclosed
WO-2015055691-A1 PI3K INHIBITOR FOR TREATMENT OF RESPIRATORY DISEASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-04-23 WO disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009112473-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-09-17 WO disclosed
EP-2081910-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
WO-2008043789-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-17 WO disclosed
EP-0500653-A4 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST INC (US) 1995-08-23 EP disclosed
EP-0500653-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST PHARMACEUTICALS INC. (US) 1992-09-02 EP disclosed
WO-1991006548-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST, INC. (US) 1991-05-16 WO disclosed
US-5008265-A 2-amino-7-(alicyclomethyl)-3H,5H,-pyrrolo[3,2-d]pyrimidin-4-ones and pharmaceutical uses and compositions containing the same BIOCRYST, INC. (US) 1991-04-16 US disclosed