⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4519257 | 0.92 | — | — | |
| SCHEMBL4530567 | 0.83 | MCL1 (0.34) | — | |
| SCHEMBL4521120 | 0.79 | ABL1 (0.31) | — | |
| SCHEMBL4525626 | 0.75 | HDAC1 (0.34) | — | |
| SCHEMBL4528551 | 0.74 | HDAC1 (0.34) | — | |
| SCHEMBL4528058 | 0.73 | RXRA (0.30) | — | |
| SCHEMBL4533719 | 0.73 | DPP4 (0.35) | — | |
| SCHEMBL4527842 | 0.72 | PTGDR2 (0.34) | — | |
| SCHEMBL4526785 | 0.72 | PTPN5 (0.40) | — | |
| SCHEMBL4522540 | 0.71 | MAPT (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1812409-A1 | AMINOQUINAZOLINES COMPOUNDS | F. Hoffmann-Roche AG (CH) | 2007-08-01 | — | — | EP | claimed |
| WO-2006050843-A1 | AMINOQUINAZOLINES COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-18 | — | — | WO | claimed |
| US-20090105477-A1 | Quinazoline Protein Tyrosine Phosphatase Inhibitors | BERTHEL STEVEN JOSEPH | 2009-04-23 | — | — | US | disclosed |
| EP-1812409-A1 | AMINOQUINAZOLINES COMPOUNDS | F. Hoffmann-Roche AG (CH) | 2007-08-01 | — | — | EP | disclosed |
| US-20060211715-A1 | Quinazoline protein tyrosine phosphatase inhibitors | BERTHEL STEVEN J | 2006-09-21 | — | — | US | disclosed |
| WO-2006050843-A1 | AMINOQUINAZOLINES COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-18 | — | — | WO | disclosed |