⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8787168 | 0.80 | — | — | |
| SCHEMBL13941597 | 0.80 | — | — | |
| SCHEMBL2839889 | 0.78 | — | — | |
| SCHEMBL24938541 | 0.78 | — | — | |
| SCHEMBL23715196 | 0.76 | MME (0.41) | — | |
| SCHEMBL976812 | 0.76 | MME (0.44) | — | |
| SCHEMBL23083832 | 0.76 | POLB (0.32) | — | |
| SCHEMBL15502281 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL22826703 | 0.75 | DPP4 (0.35) | — | |
| SCHEMBL15496984 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110357856-B | Arotinib hydrochloride intermediate and preparation method of Arotinib hydrochloride | 新发药业有限公司 | 2021-02-26 | — | — | CN | disclosed |
| WO-2008079988-A9 | QUINAZOLINES FOR PDK1 INHIBITION | NOVARTIS AG (CH) | 2011-05-12 | — | — | WO | disclosed |
| EP-2307385-A1 | 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES | Novartis AG (CH) | 2011-04-13 | — | — | EP | disclosed |
| US-20100216767-A1 | QUINAZOLINES FOR PDK1 INHIBITION | AIKAWA MINA | 2010-08-26 | — | — | US | disclosed |
| US-20100121052-A1 | Novel compounds for treating proliferative diseases | JAIN RAMA | 2010-05-13 | — | — | US | disclosed |
| WO-2009153313-A1 | 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2009-12-23 | — | — | WO | disclosed |