⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21663019 | 1.00 | — | — | |
| SCHEMBL21663158 | 0.86 | CDK4 (0.34) | — | |
| SCHEMBL21663287 | 0.84 | — | — | |
| SCHEMBL21663137 | 0.77 | — | — | |
| SCHEMBL21663007 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL21662989 | 0.75 | CDK4 (0.32) | — | |
| SCHEMBL21663036 | 0.75 | — | — | |
| SCHEMBL10191669 | 0.75 | — | — | |
| SCHEMBL21663056 | 0.73 | CDK4 (0.32) | — | |
| SCHEMBL10191421 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11168088-B2 | Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. | 2021-11-09 | — | — | US | disclosed |
| US-20200039983-A1 | PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2020-02-06 | — | — | US | disclosed |
| EP-3505519-A1 | PYRIDINAMINE-SUBSTITUTED HETEROTRICYCLO COMPOUNDS, PREPARATION THEREOF, AND USE IN MEDICINES | Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) | 2019-07-03 | — | — | EP | disclosed |