Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.47 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 5/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 4/20 | 0.36 |
| ▸ | INSR | P06213 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 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 | |
|---|---|---|---|---|
| SCHEMBL29776579 | 0.87 | DGAT1 (0.43) | KDRJAK2EGFRCDK2AURKB | |
| SCHEMBL15741964 | 0.81 | CDK2 (0.44) | KDRJAK2EGFRCDK2AURKB | |
| SCHEMBL31324661 | 0.81 | KDR (0.44) | KDRJAK2EGFRCDK2AURKB | |
| SCHEMBL586496 | 0.78 | KDR (0.44) | KDRJAK2EGFRCDK2AURKB | |
| SCHEMBL1149572 | 0.77 | KDR (0.48) | KDRJAK2EGFRCDK2AURKB | |
| SCHEMBL2298016 | 0.74 | CDK2 (0.44) | KDRJAK2EGFRCDK2AURKB | |
| SCHEMBL24851450 | 0.73 | PIK3CD (0.37) | KDRJAK2EGFRAURKBPIK3CB | |
| SCHEMBL24851758 | 0.72 | AURKA (0.39) | AURKBAURKACDK1KDM4EALDH1A1 | |
| SCHEMBL23346741 | 0.69 | PIK3CB (0.73) | KDREGFRCDK2PIK3CBPDPK1 | |
| SCHEMBL9880036 | 0.69 | DGAT1 (0.39) | KDRJAK2EGFRCDK2AURKB |
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-3181564-B1 | AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS | HOFFMANN LA ROCHE (CH) | 2019-09-18 | — | — | EP | disclosed |
| EP-3181564-A1 | AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS | Genentech, Inc. (US) | 2017-06-21 | — | — | EP | disclosed |