Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 2/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 3/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | CTSE | P14091 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14764140 | 0.93 | KDM5A (0.41) | KDM5ADDB1CRBNROCK2TNK2 | |
| SCHEMBL14764550 | 0.90 | KDM5A (0.38) | KDM5ADDB1CRBNROCK2TNK2 | |
| SCHEMBL28126248 | 0.89 | KDM5A (0.47) | KDM5ADDB1CRBNROCK2TNK2 | |
| SCHEMBL28126289 | 0.89 | KDM5A (0.47) | KDM5ADDB1CRBNROCK2TNK2 | |
| SCHEMBL28135516 | 0.84 | KDM5A (0.42) | KDM5ADDB1CRBNEGFRLCK | |
| SCHEMBL28824170 | 0.84 | KDM5A (0.42) | KDM5ADDB1CRBNEGFRLCK | |
| SCHEMBL27834485 | 0.82 | KDM5A (0.43) | KDM5ADDB1CRBNROCK2TNK2 | |
| SCHEMBL1703555 | 0.81 | KDM5A (0.53) | KDM5ADDB1CRBNTNK2EGFR | |
| SCHEMBL1703877 | 0.81 | KDM5A (0.53) | KDM5ADDB1CRBNTNK2EGFR | |
| SCHEMBL1703557 | 0.81 | KDM5A (0.53) | KDM5ADDB1CRBNTNK2EGFR |
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-2753615-B1 | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2017-07-19 | — | — | EP | disclosed |
| WO-2013034238-A1 | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2013-03-14 | — | — | WO | disclosed |