⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30813590 | 0.95 | PDPK1 (0.32) | — | |
| SCHEMBL27088011 | 0.89 | RET (0.33) | — | |
| SCHEMBL27217958 | 0.85 | VCP (0.31) | — | |
| SCHEMBL29998193 | 0.83 | RET (0.34) | — | |
| SCHEMBL27217996 | 0.83 | FLT3 (0.34) | — | |
| SCHEMBL30813722 | 0.80 | PDPK1 (0.32) | — | |
| SCHEMBL30813359 | 0.78 | FLT3 (0.36) | — | |
| SCHEMBL30813659 | 0.78 | PDPK1 (0.33) | — | |
| SCHEMBL27218030 | 0.78 | PDPK1 (0.33) | — | |
| SCHEMBL27217948 | 0.77 | SRC (0.39) | — |
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-20240158394-A1 | NEK7 INHIBITORS | Halia Therapeutics, Inc. | 2024-05-16 | — | — | US | disclosed |
| WO-2024059200-A1 | NEK7 INHIBITORS | Halia Therapeutics, Inc. (US) | 2024-03-21 | — | — | WO | disclosed |