Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 10/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.55 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 6/20 | 0.50 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.46 |
| ▸ | ATRIP | Q8WXE1 | 6/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28539899 | 1.00 | ATR (0.55) | ATRPDE4DPIK3CDPIK3CAMTOR | |
| SCHEMBL2127456 | 1.00 | ATR (0.55) | ATRPDE4DPIK3CDPIK3CAMTOR | |
| SCHEMBL28539901 | 1.00 | ATR (0.55) | ATRPDE4DPIK3CDPIK3CAMTOR | |
| SCHEMBL28543249 | 0.85 | ATR (0.42) | ATRPDE4DPIK3CDPIK3CAMTOR | |
| SCHEMBL28543248 | 0.85 | ATR (0.42) | ATRPDE4DPIK3CDPIK3CAMTOR | |
| SCHEMBL27578290 | 0.81 | KDM4E (0.43) | ATRPDE4DMTORPIK3C3KDM4E | |
| SCHEMBL27517643 | 0.81 | KDM4E (0.43) | ATRPDE4DMTORKDM4EALDH1A1 | |
| SCHEMBL27833947 | 0.80 | MTOR (0.51) | ATRPDE4DPIK3CDPIK3CAMTOR | |
| SCHEMBL29947221 | 0.80 | PIK3CA (0.50) | ATRPDE4DPIK3CDPIK3CAMTOR | |
| SCHEMBL28958536 | 0.80 | PIK3CA (0.50) | ATRPDE4DPIK3CDPIK3CAMTOR |
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 |
|---|---|---|---|---|---|---|---|
| CN-119143753-A | Salt of heterocyclic antitumor compound and crystal form thereof | 石药集团中奇制药技术（石家庄）有限公司 | 2024-12-17 | — | — | CN | disclosed |
| CN-116745277-A | Aromatic heterocyclic compound, pharmaceutical composition and application thereof | 湃隆生物科技有限公司（香港） | 2023-09-12 | — | — | CN | disclosed |
| CN-116670123-A | Aromatic heterocyclic compound, pharmaceutical composition and application thereof | 湃隆生物科技有限公司（香港） | 2023-08-29 | — | — | CN | disclosed |
| CN-116262749-A | Aromatic heterocycle substituted compound and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-06-16 | — | — | CN | disclosed |
| CN-114174292-A | Substituted 2-morpholinopyridine derivatives as ATR kinase inhibitors | 修复治疗公司 | 2022-03-11 | — | — | CN | disclosed |