⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11262732 | 0.98 | TDP1 (0.37) | — | |
| SCHEMBL7857005 | 0.84 | — | — | |
| SCHEMBL11727031 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL11321800 | 0.82 | KDM4E (0.37) | — | |
| Hydrochloric Acid SCHEMBL11323477 | 0.81 | TDP1 (0.37) | — | |
| Phosphoric Acid SCHEMBL31729521 | 0.78 | FDPS (0.44) | — | |
| SCHEMBL7312965 | 0.77 | HRH3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL7313845 | 0.75 | TDP1 (0.40) | — | |
| SCHEMBL23393724 | 0.75 | HRH2 (0.33) | — | |
| SCHEMBL21322970 | 0.74 | HRH4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101223143-A | 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same | WYETH CORP (US) | 2008-07-16 | — | — | CN | disclosed |
| EP-1888529-A2 | 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME | Wyeth (US) | 2008-02-20 | — | — | EP | disclosed |
| US-20060264460-A1 | 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same | WYETH (US) | 2006-11-23 | — | — | US | disclosed |
| WO-2006124692-A2 | 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME | WYETH (US) | 2006-11-23 | — | — | WO | disclosed |