Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 11/20 | 0.45 |
| ▸ | ATM | Q13315 | 9/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.37 |
| ▸ | PRKDC | P78527 | 5/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL14829229 | 0.93 | ATR (0.55) | ATRATMPRKDCGSK3BJAK2 | |
| SCHEMBL14833083 | 0.90 | ATR (0.46) | ATRATMPRKDCGSK3BJAK2 | |
| SCHEMBL21300020 | 0.89 | ATR (0.59) | ATRATMGPR119PRKDCGSK3B | |
| SCHEMBL12988707 | 0.89 | ATR (0.39) | ATRATMGPR119NR1H4PRKD1 | |
| SCHEMBL14841400 | 0.87 | ATR (0.46) | ATRATMPRKDCGSK3BJAK2 | |
| SCHEMBL17124668 | 0.87 | ATR (0.45) | ATRATMGPR119PRKDCGSK3B | |
| SCHEMBL12988944 | 0.86 | ATR (0.38) | ATRATMPRKDCGSK3BJAK2 | |
| SCHEMBL14829402 | 0.86 | ATR (0.38) | ATRATMNR1H4PRKD1 | |
| SCHEMBL14829315 | 0.85 | ATR (0.38) | ATRATMGPR119NR1H4PRKD1 | |
| SCHEMBL506085 | 0.84 | NR1H4 (0.37) | ATRATMGPR119PRKDCGSK3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3878851-A1 | PROCESS FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2021-09-15 | — | — | EP | disclosed |
| EP-3608316-A1 | DEUTERATED DERIVATIVES OF AN INHIBITOR OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2020-02-12 | — | — | EP | disclosed |
| EP-2751099-B1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2017-06-14 | — | — | EP | disclosed |