Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 10/20 | 0.54 |
| ▸ | NAMPT | P43490 | 3/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16420617 | 0.92 | ATR (0.64) | ATR | |
| SCHEMBL17826165 | 0.92 | ATR (0.63) | ATRNAMPTDYRK1AHDAC1 | |
| SCHEMBL16420681 | 0.83 | ATR (0.75) | ATRNAMPT | |
| SCHEMBL17826178 | 0.83 | ATR (0.57) | ATR | |
| SCHEMBL17826174 | 0.82 | ATR (0.49) | ATR | |
| SCHEMBL17826130 | 0.81 | ATR (0.58) | ATRFYN | |
| SCHEMBL2511199 | 0.80 | ATR (0.84) | ATR | |
| SCHEMBL17826170 | 0.80 | ATR (0.48) | ATR | |
| SCHEMBL17826190 | 0.78 | ATR (0.56) | ATR | |
| SCHEMBL17826136 | 0.78 | ATR (0.55) | ATRFYN |
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 |