Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 17/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2486786 | 0.87 | ATR (0.41) | ATR | |
| SCHEMBL29458708 | 0.84 | ATR (0.42) | ATR | |
| SCHEMBL559979 | 0.84 | ATR (0.42) | ATR | |
| SCHEMBL617375 | 0.84 | POLB (0.46) | ATRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12184187 | 0.78 | NPC1 (0.47) | NPC1RAB9AHDAC6SMN1; SMN2 | |
| SCHEMBL560532 | 0.77 | ATR (0.74) | ATR | |
| SCHEMBL617484 | 0.77 | ATR (0.41) | ATR | |
| SCHEMBL27854743 | 0.77 | ATR (0.41) | ATR | |
| SCHEMBL10255671 | 0.76 | ATR (0.52) | ATRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2504047 | 0.74 | ATR (0.69) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2569289-A1 | PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143419-A1 | PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |