⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2737148 | 0.72 | — | — | |
| SCHEMBL10150384 | 0.68 | — | — | |
| SCHEMBL23205800 | 0.68 | — | — | |
| SCHEMBL28432341 | 0.65 | — | — | |
| SCHEMBL73036 | 0.65 | — | — | |
| SCHEMBL22055114 | 0.65 | — | — | |
| SCHEMBL13228810 | 0.65 | — | — | |
| SCHEMBL15417862 | 0.65 | — | — | |
| SCHEMBL24697790 | 0.65 | — | — | |
| SCHEMBL12450058 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114853730-B | Compounds used as HPK1 kinase inhibitor, preparation method and application thereof | 中国药科大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-114853730-A | Compound used as HPK1 kinase inhibitor and preparation method and application thereof | 中国药科大学 | 2022-08-05 | — | — | CN | disclosed |
| CN-113166062-A | 8-aminoisoquinoline compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2021-07-23 | — | — | CN | disclosed |