Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 14/20 | 0.48 |
| ▸ | ATRIP | Q8WXE1 | 13/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 6/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 6/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.37 |
| ▸ | MTOR | P42345 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23780757 | 1.00 | ATR (0.48) | ATRATRIPPIK3CAPIK3CDCHEK1 | |
| SCHEMBL23780755 | 1.00 | ATR (0.48) | ATRATRIPPIK3CAPIK3CDCHEK1 | |
| SCHEMBL23780759 | 0.90 | ATR (0.49) | ATRATRIPPIK3CAPIK3CDCHEK1 | |
| SCHEMBL29678436 | 0.90 | ATR (0.49) | ATRATRIPPIK3CAPIK3CDCHEK1 | |
| SCHEMBL23780760 | 0.90 | ATR (0.49) | ATRATRIPPIK3CAPIK3CDCHEK1 | |
| SCHEMBL23780779 | 0.86 | ATR (0.51) | ATRATRIPMTOR | |
| SCHEMBL23780784 | 0.86 | ATR (0.51) | ATRATRIPPIK3CAMTOR | |
| SCHEMBL23780781 | 0.86 | ATR (0.51) | ATRATRIPMTOR | |
| SCHEMBL23780785 | 0.86 | ATR (0.51) | ATRATRIPPIK3CAMTOR | |
| SCHEMBL29678426 | 0.86 | ATR (0.51) | ATRATRIPPIK3CAMTOR |
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 |
|---|---|---|---|---|---|---|---|
| EP-4003993-A1 | SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS | Repare Therapeutics Inc. (CA) | 2022-06-01 | — | — | EP | disclosed |