⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1169814 | 1.00 | — | — | |
| SCHEMBL2363540 | 0.97 | LTA4H (0.36) | — | |
| SCHEMBL1464365 | 0.88 | ALOX15 (0.32) | — | |
| SCHEMBL1464937 | 0.88 | ALOX15 (0.32) | — | |
| SCHEMBL5140694 | 0.88 | — | — | |
| SCHEMBL23872300 | 0.82 | LTA4H (0.42) | — | |
| SCHEMBL7227482 | 0.79 | HRH3 (0.43) | — | |
| SCHEMBL23872301 | 0.79 | HRH3 (0.43) | — | |
| SCHEMBL10748748 | 0.79 | HRH3 (0.43) | — | |
| SCHEMBL9418109 | 0.77 | KDM4E (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6982260-B1 | Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes | WARNER-LAMBERT COMPANY (US) | 2006-01-03 | — | — | US | disclosed |
| EP-1304329-A2 | Pyridonecarboxylic acid derivatives and their use as antibacterial agents | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-04-23 | — | — | EP | disclosed |
| EP-1235815-A1 | QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES | WARNER-LAMBERT COMPANY (US) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001038315-A1 | QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES | WARNER-LAMBERT COMPANY (US) | 2001-05-31 | — | — | WO | disclosed |
| US-5849757-A | Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1998-12-15 | — | — | US | disclosed |
| EP-0807630-A1 | HETEROCYCLIC COMPOUNDS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1997-11-19 | — | — | EP | disclosed |