Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.46 |
| ▸ | ATRIP | Q8WXE1 | 15/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 8/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 8/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 7/20 | 0.41 |
| ▸ | MTOR | P42345 | 2/20 | 0.40 |
| ▸ | TAF1 | P21675 | 2/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22926519 | 0.89 | FFAR2 (0.41) | ATRATRIPPDCD1CD274CHEK1 | |
| SCHEMBL22926573 | 0.85 | ATR (0.49) | ATRATRIPMTORTAF1PRKDC | |
| SCHEMBL22926535 | 0.85 | ATR (0.47) | ATRATRIPPDCD1CD274CHEK1 | |
| SCHEMBL22926602 | 0.85 | ATR (0.46) | ATRATRIPPDCD1CD274CHEK1 | |
| SCHEMBL24708215 | 0.84 | ATR (0.46) | ATRATRIPPDCD1CD274CHEK1 | |
| SCHEMBL22926603 | 0.83 | ATR (0.48) | ATRATRIP | |
| SCHEMBL22926760 | 0.83 | ATR (0.46) | ATRATRIPPDCD1CD274CHEK1 | |
| SCHEMBL26008588 | 0.82 | ATR (0.42) | ATRATRIPMTOR | |
| SCHEMBL23514856 | 0.82 | ATR (0.41) | ATRATRIPPDCD1CD274CHEK1 | |
| SCHEMBL22926606 | 0.82 | ATR (0.38) | ATRATRIPPDCD1CD274CHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021012049-A1 | SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS | REPARE THERAPEUTICS INC. (CA) | 2021-01-28 | — | — | WO | disclosed |