Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 14/20 | 0.44 |
| ▸ | CDK2AP1 | O14519 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1563866 | 0.98 | CHEK1 (0.43) | CHEK1CDK2AP1KDM4ENPC1RAB9A | |
| SCHEMBL5001107 | 0.90 | KDM4E (0.40) | CHEK1CDK2AP1KDM4ECDK5CDK5R1 | |
| SCHEMBL1563525 | 0.85 | CHEK1 (0.52) | CHEK1CDK2AP1KDM4ENPC1RAB9A | |
| SCHEMBL1562835 | 0.83 | CHEK1 (0.63) | CHEK1CDK2AP1MAP4K4 | |
| SCHEMBL5556375 | 0.81 | CHEK1 (0.54) | CHEK1CDK2AP1 | |
| SCHEMBL1563538 | 0.81 | CHEK1 (0.62) | CHEK1CDK2AP1MAP4K4 | |
| SCHEMBL1562877 | 0.80 | CHEK1 (0.46) | CHEK1CDK2AP1KDM4ENPC1RAB9A | |
| SCHEMBL1562936 | 0.79 | USP30 (0.55) | CHEK1CDK2AP1 | |
| SCHEMBL5554768 | 0.79 | CHEK1 (0.51) | CHEK1CDK2AP1CDK5CDK5R1 | |
| SCHEMBL4991815 | 0.79 | CHEK1 (0.55) | CHEK1CDK2AP1MAP4K4 |
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-2305671-A1 | Thiophene and thiazole derivatives as CHK1 inhibitors | AstraZeneca AB (SE) | 2011-04-06 | — | — | EP | disclosed |