⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4524748 | 0.86 | WDR5 (0.31) | — | |
| SCHEMBL4511573 | 0.82 | WDR5 (0.31) | — | |
| SCHEMBL4521120 | 0.82 | ABL1 (0.31) | — | |
| SCHEMBL4528058 | 0.81 | RXRA (0.30) | — | |
| SCHEMBL4510507 | 0.78 | SCN9A (0.33) | — | |
| SCHEMBL4525626 | 0.77 | HDAC1 (0.34) | — | |
| SCHEMBL4534722 | 0.75 | KCNK3 (0.36) | — | |
| SCHEMBL4526547 | 0.75 | SCN9A (0.33) | — | |
| SCHEMBL4529416 | 0.75 | DPP4 (0.30) | — | |
| SCHEMBL4527842 | 0.74 | PTGDR2 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |