Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.47 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.47 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.35 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29964021 | 1.00 | CSNK2A1 (0.47) | CSNK2A1RPS6KA3MAPKAPK2PLK3ALDH1A1 | |
| SCHEMBL2947345 | 0.85 | MAPKAPK2 (0.53) | CSNK2A1RPS6KA3MAPKAPK2PLK3ALDH1A1 | |
| SCHEMBL31214307 | 0.85 | RPS6KA3 (0.53) | CSNK2A1RPS6KA3MAPKAPK2PLK3ALDH1A1 | |
| SCHEMBL29965007 | 0.79 | RPS6KA3 (0.47) | CSNK2A1RPS6KA3MAPKAPK2PLK3ALDH1A1 | |
| SCHEMBL23977871 | 0.79 | RPS6KA3 (0.47) | CSNK2A1RPS6KA3MAPKAPK2PLK3ALDH1A1 | |
| SCHEMBL18426240 | 0.76 | MAPKAPK2 (0.44) | CSNK2A1RPS6KA3MAPKAPK2PLK3ALDH1A1 | |
| SCHEMBL16536360 | 0.76 | GRIN2D (0.54) | CSNK2A1RPS6KA3MAPKAPK2PLK3ALDH1A1 | |
| SCHEMBL30806787 | 0.74 | ALDH1A1 (0.56) | CSNK2A1RPS6KA3MAPKAPK2PLK3ALDH1A1 | |
| SCHEMBL21541889 | 0.73 | MAPKAPK2 (0.47) | CSNK2A1RPS6KA3MAPKAPK2PLK3ALDH1A1 | |
| SCHEMBL18426438 | 0.72 | MAPKAPK2 (0.44) | CSNK2A1RPS6KA3MAPKAPK2PLK3ALDH1A1 |
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-115135636-A | Quinoxalinone derivatives as irreversible inhibitors of KRAS G12C mutant proteins | 北京泰德制药股份有限公司 | 2022-09-30 | — | — | CN | disclosed |
| WO-2021219091-A2 | QUINOXALINONE DERIVATIVE AS IRREVERSIBLE INHIBITOR OF KRAS G12C MUTANT PROTEIN | 北京泰德制药股份有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |