Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 19/20 | 0.53 |
| ▸ | PRKDC | P78527 | 3/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | SERPINA2 | P20848 | 1/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.40 |
| ▸ | FLT4 | P35916 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL18177419 | 0.89 | ATR (0.47) | ATRPRKDCGSK3BATMJAK2 | |
| SCHEMBL20278567 | 0.87 | ATR (0.46) | ATRPRKDCGSK3BATMJAK2 | |
| SCHEMBL16420634 | 0.86 | ATR (0.51) | ATRPRKDCGSK3BNPC1ALOX15 | |
| SCHEMBL16489024 | 0.86 | ATR (0.52) | ATRPRKDCGSK3BATMJAK2 | |
| SCHEMBL2483834 | 0.85 | ATR (0.73) | ATRPRKDCGSK3BATMJAK2 | |
| SCHEMBL16420587 | 0.83 | ATR (0.73) | ATR | |
| SCHEMBL16420602 | 0.81 | ATR (0.55) | ATRPRKDCGSK3BATM | |
| SCHEMBL16420745 | 0.81 | ATR (0.53) | ATRPRKDCGSK3B | |
| SCHEMBL18177394 | 0.81 | ATR (0.51) | ATRPRKDCGSK3BATMJAK2 | |
| SCHEMBL20278612 | 0.81 | ATR (0.42) | ATRPRKDCGSK3BATMJAK2 |
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 |