Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.75 |
| ▸ | GSK3B | P49841 | 1/20 | 0.67 |
| ▸ | PRKDC | P78527 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL13138157 | 0.92 | ATR (0.76) | ATRGSK3BPRKDC | |
| SCHEMBL16420818 | 0.90 | ATR (0.61) | ATRGSK3BPRKDC | |
| SCHEMBL13138055 | 0.89 | ATR (0.80) | ATRGSK3BPRKDC | |
| SCHEMBL3046180 | 0.89 | ATR (0.72) | ATRGSK3BPRKDC | |
| SCHEMBL2510098 | 0.89 | ATR (0.79) | ATRGSK3BPRKDC | |
| SCHEMBL2482221 | 0.88 | ATR (0.83) | ATRGSK3BPRKDC | |
| SCHEMBL28433529 | 0.88 | ATR (0.59) | ATRGSK3BPRKDC | |
| SCHEMBL13138237 | 0.86 | ATR (1.00) | ATRGSK3BPRKDC | |
| SCHEMBL2483706 | 0.85 | ATR (0.78) | ATRGSK3BPRKDC | |
| Isobutane SCHEMBL2483791 | 0.85 | ATR (0.69) | ATRGSK3BPRKDC |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2376485-B1 | PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2017-12-06 | — | — | EP | disclosed |