Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK4 | O00444 | 1/20 | 0.50 |
| ▸ | BTK | Q06187 | 8/20 | 0.44 |
| ▸ | JAK3 | P52333 | 5/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | TTK | P33981 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1662994 | 0.88 | PLK4 (0.53) | PLK4BTKJAK3PIK3CAHCRTR2 | |
| SCHEMBL12002573 | 0.87 | PLK4 (0.51) | PLK4BTKJAK3PIK3CAHCRTR2 | |
| SCHEMBL1662604 | 0.85 | PLK4 (0.47) | PLK4BTKJAK3PIK3CAHCRTR2 | |
| SCHEMBL1662384 | 0.81 | JAK3 (0.53) | JAK3HCRTR2HDAC3JAK2HDAC4 | |
| SCHEMBL1662850 | 0.80 | PLK4 (0.43) | PLK4BTKJAK3JAK2TTK | |
| SCHEMBL1662699 | 0.80 | PLK4 (0.43) | PLK4BTKJAK3PIK3CAHCRTR2 | |
| SCHEMBL1662793 | 0.79 | PLK4 (0.46) | PLK4BTKJAK3HSP90AA1HSP90AB1 | |
| SCHEMBL1662581 | 0.79 | BTK (0.44) | PLK4BTKJAK3 | |
| SCHEMBL1663011 | 0.76 | TTK (0.45) | PLK4BTKJAK3JAK2TTK | |
| SCHEMBL672119 | 0.74 | JAK3 (0.51) | JAK3HDAC3JAK2HDAC4HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2491039-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | Cellzome Limited (GB) | 2012-08-29 | — | — | EP | claimed |
| WO-2011048082-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | CELLZOME LIMITED (GB) | 2011-04-28 | — | — | WO | claimed |
| EP-2491039-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | Cellzome Limited (GB) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011048082-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | CELLZOME LIMITED (GB) | 2011-04-28 | — | — | WO | disclosed |