⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30648675 | 0.69 | — | — | |
| SCHEMBL22695582 | 0.68 | MAP4K1 (0.41) | — | |
| SCHEMBL29422873 | 0.68 | MAP4K1 (0.41) | — | |
| SCHEMBL22884709 | 0.68 | MAP4K1 (0.38) | — | |
| SCHEMBL1368910 | 0.66 | NNMT (0.35) | — | |
| SCHEMBL23771331 | 0.65 | MAP4K1 (0.37) | — | |
| SCHEMBL23790564 | 0.64 | MAP4K1 (0.40) | — | |
| SCHEMBL12146400 | 0.63 | AKT1S1 (0.31) | — | |
| SCHEMBL29516134 | 0.62 | AKR1B1 (0.33) | — | |
| SCHEMBL21828348 | 0.62 | MAP4K1 (0.36) | — |
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-4522618-A1 | TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS | Merck Patent GmbH (DE) | 2025-03-19 | — | — | EP | disclosed |
| WO-2023220541-A1 | TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS | MERCK PATENT GMBH (DE) | 2023-11-16 | — | — | WO | disclosed |