⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20740447 | 0.85 | SLC9A1 (0.36) | — | |
| SCHEMBL4187289 | 0.77 | MARK3 (0.46) | — | |
| SCHEMBL20740487 | 0.75 | PTGS1 (0.34) | — | |
| SCHEMBL20740456 | 0.74 | ELANE (0.44) | — | |
| SCHEMBL4190134 | 0.74 | MARK3 (0.33) | — | |
| SCHEMBL14345012 | 0.74 | MARK3 (0.33) | — | |
| SCHEMBL20740502 | 0.73 | RPS6KA5 (0.32) | — | |
| SCHEMBL16691352 | 0.72 | MARK3 (0.42) | — | |
| SCHEMBL20740491 | 0.71 | MARK3 (0.40) | — | |
| SCHEMBL20740496 | 0.70 | MARK3 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3444254-B1 | HETEROCYCLIC-SUBSTITUTED PYRIDINOPYRIMIDINONE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF | SHANGHAI XUNHE PHARMACEUTICAL TECH CO LTD (CN) | 2020-05-13 | — | — | EP | disclosed |
| US-10351578-B2 | Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof | Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) | 2019-07-16 | — | — | US | disclosed |
| US-20190071453-A1 | Heterocyclic-substituted Pyridinopyrimidinone Derivative as CDK Inhibitor and Use thereof | CHENGDU JINRUI FOUNDATION BIOTECH CO., LTD. (CN) | 2019-03-07 | — | — | US | disclosed |
| EP-3444254-A1 | HETEROCYCLIC-SUBSTITUTED PYRIDINOPYRIMIDINONE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF | Shanghai Xunhe Pharmaceutical Technology Co., Ltd. (CN) | 2019-02-20 | — | — | EP | disclosed |