⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20516792 | 0.80 | PDPK1 (0.35) | — | |
| SCHEMBL20525117 | 0.80 | — | — | |
| SCHEMBL20517907 | 0.68 | ABL1 (0.55) | — | |
| SCHEMBL38659726 | 0.68 | OPRM1 (0.32) | — | |
| SCHEMBL30600740 | 0.68 | ABL1 (0.55) | — | |
| SCHEMBL22289715 | 0.66 | CYP2A6 (0.42) | — | |
| SCHEMBL20525142 | 0.64 | — | — | |
| SCHEMBL20525121 | 0.61 | MAP4K1 (0.42) | — | |
| SCHEMBL20517530 | 0.60 | PDPK1 (0.35) | — | |
| SCHEMBL21859705 | 0.60 | NOS3 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3601259-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | H. Hoffnabb-La Roche Ag (CH) | 2020-02-05 | — | — | EP | disclosed |
| WO-2018183964-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | GENENTECH, INC. (US) | 2018-10-04 | — | — | WO | disclosed |