⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29541154 | 0.64 | — | — | |
| SCHEMBL29916509 | 0.64 | — | — | |
| SCHEMBL17080992 | 0.64 | — | — | |
| SCHEMBL28810895 | 0.62 | — | — | |
| SCHEMBL21253632 | 0.62 | NISCH (0.30) | — | |
| SCHEMBL29507903 | 0.59 | CYP1A2 (0.31) | — | |
| SCHEMBL22165013 | 0.59 | CYP1A2 (0.31) | — | |
| SCHEMBL312208 | 0.58 | GAA (0.33) | — | |
| SCHEMBL1749731 | 0.58 | — | — | |
| SCHEMBL30100337 | 0.58 | CHEK1 (0.37) | — |
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-3083625-A1 | PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS | Almac Discovery Limited (GB) | 2016-10-26 | — | — | EP | claimed |
| WO-2015092431-A1 | PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS | ALMAC DISCOVERY LIMITED (GB) | 2015-06-25 | — | — | WO | claimed |
| WO-2023239165-A1 | PHENYLSULFONAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER CONTAINING SAME AS ACTIVE INGREDIENT | 한국화학연구원 | 2023-12-14 | — | — | WO | disclosed |
| CN-107690433-B | Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating PI3 kinase-associated diseases comprising the same as active ingredient | 韩国化学研究院 | 2021-04-09 | — | — | CN | disclosed |
| EP-3083625-A1 | PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS | Almac Discovery Limited (GB) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015092431-A1 | PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS | ALMAC DISCOVERY LIMITED (GB) | 2015-06-25 | — | — | WO | disclosed |