Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 2/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KDM6B | O15054 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28162233 | 0.74 | ALDH1A1 (0.41) | AOC1AOC3ALDH1A1KDM4EGAA | |
| SCHEMBL13624973 | 0.71 | GAA (0.33) | ALDH1A1GAAMAPTTDP1 | |
| SCHEMBL9330010 | 0.69 | — | — | |
| SCHEMBL30074192 | 0.67 | — | — | |
| SCHEMBL2046959 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27703391 | 0.66 | AOC1 (0.53) | AOC1AOC3ALDH1A1KDM4EGAA | |
| SCHEMBL14003573 | 0.64 | RAD52 (0.52) | AOC1AOC3ALDH1A1KDM4EGAA | |
| SCHEMBL8271734 | 0.63 | — | — | |
| SCHEMBL5027429 | 0.63 | PTGS1 (0.35) | KDM4EMAPTMEN1KMT2AKDM4C | |
| SCHEMBL18857496 | 0.63 | CA12 (0.46) | AOC1AOC3ALDH1A1KDM4EGAA |
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 5 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-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 |