⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30206269 | 1.00 | — | — | |
| SCHEMBL24944445 | 0.93 | SYK (0.31) | — | |
| SCHEMBL30205684 | 0.93 | SYK (0.31) | — | |
| SCHEMBL29173474 | 0.90 | HPGD (0.32) | — | |
| SCHEMBL30205968 | 0.90 | HPGD (0.32) | — | |
| SCHEMBL29173540 | 0.86 | SYK (0.36) | — | |
| SCHEMBL30206169 | 0.86 | SYK (0.36) | — | |
| SCHEMBL31195396 | 0.85 | SYK (0.31) | — | |
| SCHEMBL24944179 | 0.84 | LRRK2 (0.33) | — | |
| SCHEMBL30205755 | 0.84 | LRRK2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117693503-A | Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer | 阿斯利康(瑞典)有限公司 | 2024-03-12 | — | — | CN | disclosed |