Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Prexasertib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 known ✓ | O14757 | 19/20 | 0.98 |
| ▸ | CHEK2 known ✓ | O96017 | 1/20 | 0.98 |
| ▸ | KCNH2 | Q12809 | 15/20 | 0.98 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.98 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.98 |
| ▸ | FLT3 | P36888 | 1/20 | 0.98 |
| ▸ | BLK | P51451 | 1/20 | 0.98 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.98 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.98 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Prexasertib SCHEMBL20668254 | 1.00 | CHEK1 (0.98) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL29838776 | 1.00 | CHEK1 (0.98) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL1971742 | 0.99 | CHEK1 (0.96) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL29371799 | 0.99 | CHEK1 (1.00) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL30528862 | 0.99 | CHEK1 (1.00) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL1975451 | 0.99 | CHEK1 (1.00) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL30517001 | 0.99 | CHEK1 (1.00) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL18955240 | 0.97 | CHEK1 (0.96) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL20591301 | 0.94 | CHEK1 (0.90) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 | |
| Prexasertib SCHEMBL1971000 | 0.94 | CHEK1 (0.90) | CHEK1KCNH2NUAK1CHEK2RPS6KB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108349948-B | 5- (5- (2- (3-aminopropoxy) -6-methoxyphenyl) -1H-pyrazol-3-ylamino) pyrazine-2-carbonitrile (S) -lactate monohydrate | 伊莱利利公司 | 2021-02-23 | — | — | CN | disclosed |