⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20517727 | 0.65 | MAP4K1 (0.35) | — | |
| SCHEMBL20516617 | 0.63 | MAP4K1 (0.36) | — | |
| SCHEMBL20517432 | 0.62 | — | — | |
| SCHEMBL30756315 | 0.61 | MAOA (0.31) | — | |
| SCHEMBL25433103 | 0.60 | GRM5 (0.41) | — | |
| SCHEMBL25431955 | 0.60 | — | — | |
| SCHEMBL25430598 | 0.60 | SIGMAR1 (0.32) | — | |
| SCHEMBL25430904 | 0.60 | — | — | |
| SCHEMBL20517831 | 0.59 | MAP4K1 (0.37) | — | |
| SCHEMBL20517292 | 0.59 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117024411-B | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2026-05-19 | — | — | CN | disclosed |
| CN-117024411-A | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2023-11-10 | — | — | CN | disclosed |
| CN-110709392-B | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2023-09-29 | — | — | CN | disclosed |
| US-11566003-B2 | Isoquinolines as inhibitors of HPK1 | GENENTECH, INC. (US) | 2023-01-31 | — | — | US | disclosed |
| EP-3601259-B1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | HOFFMANN LA ROCHE (CH) | 2022-02-23 | — | — | EP | disclosed |
| US-20210163417-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | GENENTECH, INC. (US) | 2021-06-03 | — | — | US | disclosed |
| EP-3601259-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | H. Hoffnabb-La Roche Ag (CH) | 2020-02-05 | — | — | EP | disclosed |
| CN-110709392-A | Isoquinoline as HPK1 inhibitors | 豪夫迈·罗氏有限公司 | 2020-01-17 | — | — | CN | disclosed |
| US-20180282282-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | GENENTECH, INC. (US) | 2018-10-04 | — | — | US | disclosed |
| WO-2018183964-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | GENENTECH, INC. (US) | 2018-10-04 | — | — | WO | disclosed |