⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20517645 | 0.80 | — | — | |
| SCHEMBL20517646 | 0.80 | — | — | |
| SCHEMBL21334803 | 0.80 | — | — | |
| SCHEMBL23429159 | 0.78 | — | — | |
| SCHEMBL8140195 | 0.78 | CHRM2 (0.35) | — | |
| SCHEMBL16850676 | 0.75 | — | — | |
| SCHEMBL20519996 | 0.75 | CA1 (0.44) | — | |
| SCHEMBL20519997 | 0.75 | CA1 (0.44) | — | |
| SCHEMBL13201321 | 0.72 | — | — | |
| SCHEMBL13994588 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11566003-B2 | Isoquinolines as inhibitors of HPK1 | GENENTECH, INC. (US) | 2023-01-31 | — | — | US | disclosed |
| US-20210163417-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | GENENTECH, INC. (US) | 2021-06-03 | — | — | US | disclosed |