Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | PRKDC | P78527 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL17826212 | 0.98 | ATR (0.58) | ATRATMGSK3BPRKDC | |
| SCHEMBL16070057 | 0.93 | ATR (0.57) | ATRATMGSK3BPRKDC | |
| SCHEMBL3049491 | 0.91 | ATR (0.61) | ATRATMGSK3BPRKDC | |
| SCHEMBL3049489 | 0.91 | ATR (0.61) | ATRATMGSK3BPRKDC | |
| SCHEMBL3056175 | 0.91 | ATR (0.61) | ATRATMGSK3BPRKDC | |
| SCHEMBL13138048 | 0.88 | ATR (0.63) | ATRATMGSK3BPRKDC | |
| SCHEMBL20433419 | 0.87 | ATR (0.64) | ATRATMGSK3BPRKDC | |
| SCHEMBL16070028 | 0.87 | ATR (0.69) | ATRATMGSK3BPRKDC | |
| SCHEMBL20433281 | 0.86 | ATR (0.75) | ATRATMGSK3BPRKDC | |
| SCHEMBL17826217 | 0.85 | ATR (0.59) | ATRATMGSK3BPRKDC |
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 |