⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3936379 | 0.81 | — | — | |
| SCHEMBL4886839 | 0.76 | SMYD2 (0.31) | — | |
| SCHEMBL3934611 | 0.76 | LTB4R (0.33) | — | |
| SCHEMBL3932788 | 0.75 | SMYD2 (0.32) | — | |
| SCHEMBL4215142 | 0.75 | DAO (0.50) | — | |
| SCHEMBL1314001 | 0.73 | AGXT (0.42) | — | |
| SCHEMBL8794941 | 0.72 | MMP3 (0.38) | — | |
| SCHEMBL3939800 | 0.72 | SLC1A3 (0.36) | — | |
| SCHEMBL27581136 | 0.70 | AGXT (0.32) | — | |
| SCHEMBL22774158 | 0.69 | SMYD2 (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090118261-A1 | QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS | ASTRAZENECA AB (SE) | 2009-05-07 | — | — | US | disclosed |
| EP-1831198-B1 | PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS | ASTRAZENECA AB (SE) | 2009-04-08 | — | — | EP | disclosed |
| US-20080275022-A1 | Substituted Quinazolones as Anti-Cancer Agents | ASTRAZENECA AB (SE) | 2008-11-06 | — | — | US | disclosed |
| US-20080207616-A1 | Quinoxalines as B Baf Inhhibitors | ASTRAZENECA AB (SE) | 2008-08-28 | — | — | US | disclosed |
| EP-1789399-A1 | QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS | AstraZeneca AB (SE) | 2007-05-30 | — | — | EP | disclosed |
| EP-1761506-A1 | SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS | AstraZeneca AB (SE) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006024834-A1 | QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS | ASTRAZENECA AB (SE) | 2006-03-09 | — | — | WO | disclosed |
| WO-2005123696-A1 | SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS | ASTRAZENECA AB (SE) | 2005-12-29 | — | — | WO | disclosed |