Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 18/20 | 0.57 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17826130 | 0.92 | ATR (0.58) | ATRCHEK1 | |
| SCHEMBL17826174 | 0.91 | ATR (0.49) | ATR | |
| SCHEMBL17826132 | 0.89 | ATR (0.49) | ATR | |
| SCHEMBL16420698 | 0.88 | ATR (0.72) | ATR | |
| SCHEMBL17826136 | 0.87 | ATR (0.55) | ATRCHEK1 | |
| SCHEMBL17826190 | 0.87 | ATR (0.56) | ATR | |
| SCHEMBL17826154 | 0.86 | ATR (0.48) | ATR | |
| SCHEMBL17826115 | 0.86 | ATR (0.55) | ATRCHEK1 | |
| SCHEMBL17826108 | 0.85 | ATR (0.46) | ATR | |
| SCHEMBL17826179 | 0.84 | ATR (0.57) | ATRCHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9365557-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |