Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 3/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3417266 | 0.85 | KDM4E (0.48) | KDM4EALDH1A1MAPTKMOCDK2 | |
| SCHEMBL3417412 | 0.82 | KDM4E (0.53) | KDM4EALDH1A1MAPTKMOCDK2 | |
| SCHEMBL3411485 | 0.81 | HRH4 (0.52) | KDM4EALDH1A1MAPTKMOCDK2 | |
| SCHEMBL26644432 | 0.74 | ALDH1A1 (0.54) | KDM4EALDH1A1MAPTMAP4K4CLK4 | |
| SCHEMBL3413852 | 0.73 | MAP3K12 (0.47) | — | |
| SCHEMBL15889921 | 0.72 | KMO (0.60) | KDM4EALDH1A1MAPTKMOCDK2 | |
| SCHEMBL4281847 | 0.69 | JAK2 (0.45) | CDK2GSK3BJAK2SYKJAK3 | |
| SCHEMBL20022604 | 0.69 | KMO (0.53) | KDM4EALDH1A1MAPTKMOCDK2 | |
| SCHEMBL22641600 | 0.69 | KMO (0.73) | KDM4EALDH1A1MAPTKMOCDK2 | |
| SCHEMBL15391058 | 0.68 | JAK2 (0.44) | JAK2SYKJAK3EGFR |
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-2265607-A1 | PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES | Rigel Pharmaceuticals, Inc. (US) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009103032-A1 | PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES | RIGEL PHARMACEUTICALS, INC. (US) | 2009-08-20 | — | — | WO | disclosed |