⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5499703 | 1.00 | — | — | |
| SCHEMBL25809 | 0.84 | — | — | |
| SCHEMBL25808 | 0.84 | — | — | |
| SCHEMBL14054336 | 0.82 | CA1 (0.36) | — | |
| SCHEMBL23829915 | 0.80 | — | — | |
| SCHEMBL3247704 | 0.80 | — | — | |
| SCHEMBL1569416 | 0.78 | — | — | |
| SCHEMBL1569414 | 0.78 | — | — | |
| SCHEMBL17044731 | 0.78 | — | — | |
| SCHEMBL11879424 | 0.76 | PPARG (0.43) | — |
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-1448531-B1 | 3-CYANOQUINOLINES AS INHIBITORS OF EGF-R AND HER2 KINASES | WYETH CORP (US) | 2007-08-15 | — | — | EP | disclosed |
| US-6821988-B2 | FOR USE AS ANTINEOPLASTIC AGENTS AND IN THERAPY OF POLYCYSTIC KIDNEY DISEASE | WYETH HOLDINGS CORPORATION | 2004-11-23 | — | — | US | disclosed |
| EP-1448531-A1 | 3-CYANOQUINOLINES AS INHIBITORS OF EGF-R AND HER2 KINASES | Wyeth Holdings Corporation (US) | 2004-08-25 | — | — | EP | disclosed |
| US-20030149056-A1 | 3-cyanoquinolines as inhibitors of EGF-R and HER2 kinases | AMERICAN CYANAMID COMPANY | 2003-08-07 | — | — | US | disclosed |
| WO-2003050090-A1 | 3-CYANOQUINOLINES AS INHIBITORS OF EGF-R AND HER2 KINASES | WYETH HOLDINGS CORPORATION (US) | 2003-06-19 | — | — | WO | disclosed |