Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 12/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 11/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | INSR | P06213 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.37 |
| ▸ | FLT4 | P35916 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | CDK7 | P50613 | 1/20 | 0.37 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23442190 | 0.78 | CHEK2 (0.45) | CHEK2CHEK1AURKAINSRCDK1 | |
| SCHEMBL23442198 | 0.68 | CHEK1 (1.00) | CHEK2CHEK1 | |
| SCHEMBL22743595 | 0.66 | AURKA (0.41) | CHEK2CHEK1MAPK14AURKAINSR | |
| SCHEMBL23937774 | 0.65 | ELANE (0.34) | CHEK2CHEK1AURKAINSRCDK1 | |
| SCHEMBL21671863 | 0.65 | DGAT1 (0.41) | CHEK2CHEK1MAPK14AURKAINSR | |
| Hydrochloric Acid SCHEMBL31637376 | 0.62 | DRD2 (0.37) | CHEK2CHEK1AURKAINSRCDK1 | |
| SCHEMBL31403618 | 0.62 | HTR1A (0.43) | CHEK2CHEK1AURKAINSRCDK1 | |
| SCHEMBL31403695 | 0.62 | KDM2B (0.46) | AURKAINSRCDK1PDGFRBCDK4 | |
| SCHEMBL20673865 | 0.61 | CHEK2 (0.35) | CHEK2CHEK1AURKAINSRCDK1 | |
| SCHEMBL23442189 | 0.61 | CHEK2 (0.48) | CHEK2CHEK1ALDH1A1CYP1A2CASP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021104461-A1 | DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR | 南京明德新药研发有限公司 | 2021-06-03 | — | — | WO | disclosed |