Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBK1 | Q9UHD2 | 12/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.42 |
| ▸ | IKBKE | Q14164 | 8/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | MYLK4 | Q86YV6 | 2/20 | 0.39 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.39 |
| ▸ | NEK3 | P51956 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | NEK5 | Q6P3R8 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 3/20 | 0.39 |
| ▸ | JAK3 | P52333 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10080689 | 0.87 | TBK1 (0.53) | TBK1ROCK2CDC7MAP4K4CDK2 | |
| SCHEMBL16667457 | 0.85 | TBK1 (0.51) | TBK1ROCK2CDC7MAP4K4CDK2 | |
| SCHEMBL10080744 | 0.84 | TBK1 (0.54) | TBK1IKBKEKMOMYLK4STK17A | |
| SCHEMBL15307921 | 0.81 | TBK1 (0.49) | TBK1IKBKEMYLK4STK17ANEK3 | |
| SCHEMBL10080690 | 0.80 | TBK1 (0.53) | TBK1ROCK2CDC7MAP4K4CDK2 | |
| SCHEMBL16667459 | 0.80 | TBK1 (0.51) | TBK1CDK2IKBKE | |
| SCHEMBL459047 | 0.80 | TBK1 (0.49) | TBK1ROCK2CDC7MAP4K4CDK2 | |
| SCHEMBL16667464 | 0.79 | TBK1 (0.51) | TBK1IKBKE | |
| SCHEMBL434250 | 0.78 | TBK1 (0.58) | TBK1ROCK2CDK2IKBKEMYLK4 | |
| SCHEMBL433957 | 0.78 | TBK1 (0.63) | TBK1ROCK2CDK2GSK3BIKBKE |
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 |
|---|---|---|---|---|---|---|---|
| EP-2595964-B1 | Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them | DOMAINEX LTD (GB) | 2015-04-29 | — | — | EP | claimed |