⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25151176 | 0.81 | — | — | |
| SCHEMBL3379102 | 0.74 | HTR5A (0.34) | — | |
| SCHEMBL29484156 | 0.69 | — | — | |
| SCHEMBL24777662 | 0.62 | — | — | |
| SCHEMBL3652247 | 0.60 | — | — | |
| SCHEMBL29904252 | 0.58 | — | — | |
| SCHEMBL16402066 | 0.57 | CD44 (0.40) | — | |
| SCHEMBL30014809 | 0.57 | CD44 (0.40) | — | |
| SCHEMBL627438 | 0.57 | PNMT (0.48) | — | |
| SCHEMBL17103890 | 0.56 | MAOA (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1444211-B1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2009-01-21 | — | — | EP | disclosed |
| US-20070088044-A1 | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB | 2007-04-19 | — | — | US | disclosed |
| US-20050054662-A1 | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB (SE) | 2005-03-10 | — | — | US | disclosed |
| EP-1444211-A2 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | AstraZeneca AB (SE) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003040109-A2 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2003-05-15 | — | — | WO | disclosed |