Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL26129643 | 0.78 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3TSHRPIK3CD | |
| SCHEMBL255185 | 0.74 | KDM4E (0.44) | TSHRPIK3CD | |
| SCHEMBL3330835 | 0.74 | DRD2 (0.47) | SLC6A2SLC6A4SLC6A3PIK3CD | |
| Hydrochloric Acid SCHEMBL190200 | 0.73 | KDM4E (0.43) | TSHRPIK3CD | |
| Hydrochloric Acid SCHEMBL9148103 | 0.72 | KDM4E (0.42) | TSHRPIK3CD | |
| SCHEMBL20229250 | 0.70 | PIK3CD (0.34) | SLC6A2SLC6A4SLC6A3TSHRPIK3CD | |
| SCHEMBL26131264 | 0.70 | DRD2 (0.41) | — | |
| SCHEMBL22340533 | 0.70 | KDM4E (0.43) | TSHRPIK3CD | |
| Hydrochloric Acid SCHEMBL26130653 | 0.69 | DRD2 (0.40) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL26128730 | 0.69 | L3MBTL1 (0.41) | KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4190786-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2023-06-07 | — | — | EP | disclosed |
| EP-3486245-B1 | 2-AMINO-N-(PIPERIDIN-1-YL-PYRIDIN-3-YL) PYRAZOLO[1,5ALPHA]PYRIMIDINE-3-CARBOXAMID AS INHIBITOR OF ATR KINASE | VERTEX PHARMA (US) | 2021-04-28 | — | — | EP | disclosed |
| EP-3808749-A1 | PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES | Vertex Pharmaceuticals Incorporated (US) | 2021-04-21 | — | — | EP | disclosed |
| EP-3418281-B1 | PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES | VERTEX PHARMA (US) | 2020-09-30 | — | — | EP | disclosed |
| EP-3486245-A1 | 2-AMINO-N-(PIPERIDIN-1-YL-PYRIDIN-3-YL) PYRAZOLO[1,5ALPHA]PYRIMIDINE-3-CARBOXAMID AS INHIBITOR OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2019-05-22 | — | — | EP | disclosed |
| EP-2941432-B1 | 2-AMINO-6-FLUORO-N-(5-FLUORO-4-(4-(4-(OXETAN-3-YL)PIPERAZINE-1-CARBONYL)PIPERIDIN-1-YL)PYRIDIN-3-YL)PYRAZOLO[1,5ALPHA]PYRIMIDINE-3-CARBOXAMIDE AS INHIBITOR OF ATR KINASE | VERTEX PHARMA (US) | 2018-03-07 | — | — | EP | disclosed |
| US-9650381-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-05-16 | — | — | US | disclosed |