Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.51 |
| ▸ | ATM | Q13315 | 8/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | PRKDC | P78527 | 4/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | SERPINA2 | P20848 | 1/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | FLT4 | P35916 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MERTK | Q12866 | 1/20 | 0.37 |
| ▸ | DYRK2 | Q92630 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2635709 | 0.76 | ATR (0.55) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL506418 | 0.71 | ATR (0.81) | ATRATMGSK3B | |
| SCHEMBL18774299 | 0.70 | ATR (0.74) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL10231102 | 0.69 | ATR (0.65) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL10231321 | 0.67 | ATR (1.00) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL2635523 | 0.67 | ATR (0.69) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL506800 | 0.65 | ATR (0.52) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL10230603 | 0.64 | ATR (1.00) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL13195742 | 0.64 | ATR (0.58) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL2635375 | 0.63 | ATR (0.47) | ATRATMGSK3BPRKDCJAK2 |
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-2569313-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143426-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |