⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL482090 | 0.91 | GABRG2 (0.36) | — | |
| SCHEMBL482970 | 0.84 | BACE1 (0.35) | — | |
| SCHEMBL4946449 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL481590 | 0.74 | BACE1 (0.41) | — | |
| SCHEMBL31431751 | 0.74 | NR1H2 (0.39) | — | |
| SCHEMBL27851953 | 0.73 | L3MBTL1 (0.35) | — | |
| SCHEMBL4948050 | 0.72 | LMNA (0.38) | — | |
| SCHEMBL10299255 | 0.71 | L3MBTL1 (0.45) | — | |
| SCHEMBL2510791 | 0.70 | — | — | |
| SCHEMBL31123199 | 0.69 | GCGR (0.40) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2457913-B1 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | SIGNAL PHARM LLC (US) | 2017-04-19 | — | — | EP | disclosed |
| EP-2090577-B1 | Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors | SIGNAL PHARM LLC (US) | 2017-04-05 | — | — | EP | disclosed |
| US-8372976-B2 | Methods of treatment comprising the administration of heteroaryl compounds | SIGNAL PHARMACEUTICALS, LLC (US) | 2013-02-12 | — | — | US | disclosed |
| EP-2457913-A2 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | Signal Pharmaceuticals LLC (US) | 2012-05-30 | — | — | EP | disclosed |
| EP-2078016-B1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2012-02-01 | — | — | EP | disclosed |
| US-20110245245-A1 | METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS | SIGNAL PHARMACEUTICALS, LLC | 2011-10-06 | — | — | US | disclosed |
| US-7981893-B2 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC (US) | 2011-07-19 | — | — | US | disclosed |
| EP-2090577-A2 | Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors | Signal Pharmaceuticals LLC (US) | 2009-08-19 | — | — | EP | disclosed |
| EP-2078016-A2 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | Signal Pharmaceuticals LLC (US) | 2009-07-15 | — | — | EP | disclosed |
| US-20090023724-A1 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC | 2009-01-22 | — | — | US | disclosed |
| WO-2008051493-A2 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-05-02 | — | — | WO | disclosed |