Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 12/20 | 0.72 |
| ▸ | ITK | Q08881 | 11/20 | 0.72 |
| ▸ | AURKB | Q96GD4 | 9/20 | 0.55 |
| ▸ | CDK1 | P06493 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | AGER | Q15109 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | INSR | P06213 | 1/20 | 0.31 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 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 | |
|---|---|---|---|---|
| SCHEMBL455202 | 1.00 | LCK (0.72) | LCKITKAURKBCDK1KDM4E | |
| SCHEMBL141011 | 0.83 | ITK (1.00) | LCKITKAURKBEGFRINSR | |
| SCHEMBL141010 | 0.83 | ITK (1.00) | LCKITKAURKBEGFRINSR | |
| SCHEMBL143616 | 0.71 | LCK (1.00) | LCKITKAURKBALDH1A1MAPT | |
| SCHEMBL143617 | 0.71 | LCK (1.00) | LCKITKAURKBALDH1A1MAPT | |
| SCHEMBL139891 | 0.68 | ITK (0.81) | LCKITKAURKBEGFRINSR | |
| SCHEMBL139892 | 0.68 | ITK (0.81) | LCKITKAURKBEGFRINSR | |
| SCHEMBL139967 | 0.67 | ITK (0.81) | LCKITKAURKBEGFRINSR | |
| SCHEMBL139966 | 0.67 | ITK (0.81) | LCKITKAURKBEGFRINSR | |
| SCHEMBL137558 | 0.66 | ITK (0.77) | LCKITKAURKBEGFRINSR |
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-2408769-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | Glaxo Group Limited (GB) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010106016-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2010-09-23 | — | — | WO | disclosed |