⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21299993 | 0.81 | PDE2A (0.42) | — | |
| SCHEMBL21300009 | 0.79 | CYP2C9 (0.33) | — | |
| SCHEMBL8955219 | 0.76 | CA12 (0.35) | — | |
| SCHEMBL799991 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL11393154 | 0.74 | PDE2A (0.44) | — | |
| SCHEMBL12419959 | 0.72 | OPRD1 (0.39) | — | |
| SCHEMBL6680120 | 0.72 | MAPK1 (0.33) | — | |
| SCHEMBL12120577 | 0.70 | — | — | |
| SCHEMBL6927412 | 0.70 | TDP1 (0.46) | — | |
| SCHEMBL21162070 | 0.69 | TSHR (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3878851-A1 | PROCESS FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2021-09-15 | — | — | EP | disclosed |
| US-10822331-B2 | Processes for preparing ATR inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-11-03 | — | — | US | disclosed |
| EP-3608316-A1 | DEUTERATED DERIVATIVES OF AN INHIBITOR OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2020-02-12 | — | — | EP | disclosed |
| US-10435397-B2 | — | — | 2019-10-08 | — | — | US | disclosed |
| US-20190202818-A1 | PROCESSES FOR PREPARING ATR INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2019-07-04 | — | — | US | disclosed |
| US-10208027-B2 | Processes for preparing ATR inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-02-19 | — | — | US | disclosed |