Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 16/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL16420665 | 0.87 | ATR (0.70) | ATR | |
| SCHEMBL17826193 | 0.84 | ATR (0.39) | ATR | |
| SCHEMBL17826200 | 0.84 | ATR (0.51) | ATR | |
| SCHEMBL17826124 | 0.84 | KDM4E (0.48) | ATRMAPK1L3MBTL1 | |
| SCHEMBL17826131 | 0.82 | ATR (0.53) | ATR | |
| SCHEMBL17826137 | 0.82 | ATR (0.43) | ATRCHEK1 | |
| SCHEMBL17826108 | 0.82 | ATR (0.46) | ATRHDAC6 | |
| SCHEMBL17826114 | 0.81 | ATR (0.52) | ATR | |
| SCHEMBL17826168 | 0.81 | ATR (0.43) | ATR | |
| SCHEMBL17826173 | 0.80 | ATR (0.56) | ATR |
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 |