⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22281801 | 0.67 | — | — | |
| SCHEMBL19545257 | 0.67 | — | — | |
| SCHEMBL2142333 | 0.64 | — | — | |
| SCHEMBL22148270 | 0.62 | — | — | |
| SCHEMBL23344713 | 0.61 | — | — | |
| SCHEMBL10299189 | 0.58 | — | — | |
| SCHEMBL24597213 | 0.58 | — | — | |
| SCHEMBL25629114 | 0.58 | SOS1 (0.31) | — | |
| SCHEMBL22245266 | 0.55 | — | — | |
| SCHEMBL23344724 | 0.54 | — | — |
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-10894052-B2 | Heterocyclic inhibitors of ATR kinase | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2021-01-19 | — | — | US | disclosed |
| US-20190282584-A1 | HETEROCYCLIC INHIBITORS OF ATR KINASE | ARTIOS PHARMA LIMITED (GB) | 2019-09-19 | — | — | US | disclosed |