Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBK1 | Q9UHD2 | 5/20 | 0.55 |
| ▸ | JAK2 | O60674 | 3/20 | 0.55 |
| ▸ | MAP3K14 | Q99558 | 5/20 | 0.52 |
| ▸ | IKBKE | Q14164 | 3/20 | 0.51 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.51 |
| ▸ | FLT3 | P36888 | 2/20 | 0.51 |
| ▸ | IKBKB | O14920 | 2/20 | 0.51 |
| ▸ | KIT | P10721 | 1/20 | 0.51 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.51 |
| ▸ | FLT1 | P17948 | 1/20 | 0.51 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.51 |
| ▸ | JAK1 | P23458 | 1/20 | 0.51 |
| ▸ | TYK2 | P29597 | 1/20 | 0.51 |
| ▸ | FLT4 | P35916 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | JAK3 | P52333 | 1/20 | 0.51 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.51 |
| ▸ | PLK4 | O00444 | 1/20 | 0.51 |
| ▸ | CIT | O14578 | 1/20 | 0.51 |
| ▸ | GAK | O14976 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12505476 | 0.82 | JAK2 (0.56) | TBK1JAK2IKBKEPDGFRBFLT3 | |
| SCHEMBL434303 | 0.82 | TBK1 (0.54) | TBK1JAK2MAP3K14IKBKEPDGFRB | |
| SCHEMBL434757 | 0.82 | TBK1 (0.54) | TBK1JAK2MAP3K14IKBKEPDGFRB | |
| SCHEMBL19098724 | 0.78 | MAP3K14 (0.52) | MAP3K14IKBKBMAPK1 | |
| SCHEMBL19099029 | 0.76 | MAPK1 (0.58) | MAP3K14MAPK1 | |
| SCHEMBL19098731 | 0.76 | MAPK1 (0.55) | MAP3K14PDGFRBGAKAAK1Q6ZSR9 | |
| SCHEMBL19099170 | 0.76 | MAP3K14 (0.49) | MAP3K14PDGFRBPDGFRAMAPK1 | |
| SCHEMBL19099039 | 0.75 | MAPK1 (0.57) | MAP3K14MAPK1 | |
| SCHEMBL434196 | 0.75 | MAP3K14 (0.57) | TBK1MAP3K14MAPK1 | |
| SCHEMBL433159 | 0.75 | MAP3K14 (0.50) | TBK1MAP3K14IKBKEROCK2MAPK1 |
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-2595964-A1 | PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Domainex Limited (GB) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010826-A1 | PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMAINEX LIMITED (GB) | 2012-01-26 | — | — | WO | disclosed |