⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25255341 | 0.79 | — | — | |
| SCHEMBL25305116 | 0.73 | KDM4E (0.42) | — | |
| SCHEMBL23497578 | 0.59 | GSK3B (0.38) | — | |
| SCHEMBL23508113 | 0.58 | GSK3B (0.34) | — | |
| SCHEMBL25835406 | 0.58 | KCNH3 (0.33) | — | |
| SCHEMBL25531331 | 0.58 | CYP1A2 (0.31) | — | |
| SCHEMBL25202771 | 0.56 | ULK1 (0.48) | — | |
| SCHEMBL11736595 | 0.56 | ALDH1A1 (0.48) | — | |
| SCHEMBL25204771 | 0.56 | — | — | |
| SCHEMBL25244160 | 0.55 | TAS2R14 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250066370-A1 | BICYCLIC TRIAZINE DERIVATIVES FOR THE TREATMENT OF CANCER | DEUTSCHES KREBSFORSCH (DE) | 2025-02-27 | — | — | US | disclosed |
| EP-4463458-A1 | BICYCLIC TRIAZINE DERIVATIVES FOR THE TREATMENT OF CANCER | Deutsches Krebsforschungszentrum (DE) | 2024-11-20 | — | — | EP | disclosed |
| WO-2023135057-A1 | BICYCLIC TRIAZINE DERIVATIVES FOR THE TREATMENT OF CANCER | DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) | 2023-07-20 | — | — | WO | disclosed |