⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23913544 | 0.78 | — | — | |
| SCHEMBL25035727 | 0.73 | — | — | |
| SCHEMBL14540445 | 0.73 | — | — | |
| SCHEMBL13057736 | 0.73 | — | — | |
| SCHEMBL16186891 | 0.73 | — | — | |
| SCHEMBL19122907 | 0.70 | — | — | |
| SCHEMBL23843304 | 0.70 | — | — | |
| SCHEMBL21737043 | 0.67 | — | — | |
| SCHEMBL23386325 | 0.67 | — | — | |
| SCHEMBL20711351 | 0.67 | — | — |
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-10479784-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-11-19 | — | — | US | disclosed |
| US-20190047995-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2019-02-14 | — | — | US | disclosed |