Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 3/20 | 0.39 |
| ▸ | BCR | P11274 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 3/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | FLT3 | P36888 | 2/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28871289 | 1.00 | MAPK1 (0.41) | MAPK1MAP2K4MAPKAPK2MAPK6MAPK8 | |
| SCHEMBL28871209 | 0.89 | KDR (0.41) | MAPK8ABL1BCRGSK3BKDR | |
| SCHEMBL29968276 | 0.89 | KDR (0.41) | MAPK8ABL1BCRGSK3BKDR | |
| SCHEMBL28871280 | 0.88 | KDR (0.44) | MAPK1MAPK8ABL1BCRGSK3B | |
| SCHEMBL29967967 | 0.88 | KDR (0.44) | MAPK1MAPK8ABL1BCRGSK3B | |
| SCHEMBL29968242 | 0.87 | NR1H4 (0.48) | MAPK8ABL1BCRFLT3RAB9A | |
| SCHEMBL28871272 | 0.87 | NR1H4 (0.48) | MAPK8ABL1BCRFLT3RAB9A | |
| SCHEMBL28871288 | 0.87 | NR1H4 (0.46) | MAPK8ABL1BCRGSK3BKDR | |
| SCHEMBL28957382 | 0.85 | MEN1 (0.43) | MAP2K4MAPK8ABL1BCRGSK3B | |
| SCHEMBL29967594 | 0.85 | MEN1 (0.43) | MAP2K4MAPK8ABL1BCRGSK3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |