Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 20/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.65 |
| ▸ | FECH | P22830 | 1/20 | 0.65 |
| ▸ | FLT4 | P35916 | 4/20 | 0.60 |
| ▸ | GSK3B | P49841 | 4/20 | 0.60 |
| ▸ | RPS6KA3 | P51812 | 4/20 | 0.60 |
| ▸ | AURKA | O14965 | 3/20 | 0.60 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.60 |
| ▸ | RET | P07949 | 2/20 | 0.60 |
| ▸ | CLK2 | P49760 | 2/20 | 0.60 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.60 |
| ▸ | BRSK1 | Q8TDC3 | 2/20 | 0.60 |
| ▸ | SRPK1 | Q96SB4 | 2/20 | 0.60 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.60 |
| ▸ | CDK2 | P24941 | 2/20 | 0.60 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.60 |
| ▸ | IKBKB | O14920 | 1/20 | 0.60 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.60 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.60 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL10083991 | 0.93 | CHEK1 (0.71) | CHEK1KCNH2FECHFLT4GSK3B | |
| SCHEMBL305186 | 0.92 | CHEK1 (0.74) | CHEK1KCNH2FECHFLT4GSK3B | |
| SCHEMBL305187 | 0.92 | CHEK1 (0.74) | CHEK1KCNH2FECHFLT4GSK3B | |
| SCHEMBL306199 | 0.91 | CHEK1 (0.68) | CHEK1KCNH2FECHFLT4GSK3B | |
| SCHEMBL306200 | 0.91 | CHEK1 (0.68) | CHEK1KCNH2FECHFLT4GSK3B | |
| SCHEMBL305570 | 0.88 | CHEK1 (0.63) | CHEK1KCNH2FECHFLT4GSK3B | |
| Hydrochloric Acid SCHEMBL306016 | 0.87 | CHEK1 (0.62) | CHEK1KCNH2FECHFLT4GSK3B | |
| SCHEMBL304807 | 0.84 | CHEK1 (0.68) | CHEK1KCNH2FECHFLT4GSK3B | |
| SCHEMBL304808 | 0.84 | CHEK1 (0.68) | CHEK1KCNH2FECHFLT4GSK3B | |
| SCHEMBL305203 | 0.83 | CHEK1 (0.86) | CHEK1KCNH2FECHFLT4GSK3B |
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-2330105-A1 | Heteroaryl urea derivatives useful for inhibiting CHK1 | ICOS Corporation (US) | 2011-06-08 | — | — | EP | disclosed |