Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | FES | P07332 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | IGF1R | P08069 | 1/20 | 0.31 |
| ▸ | ROS1 | P08922 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31729227 | 0.85 | IP6K1 (0.32) | CHEK1 | |
| SCHEMBL31728230 | 0.82 | KMT2A (0.35) | CHEK1CDC7IKBKBAURKADAPK3 | |
| SCHEMBL31728421 | 0.81 | — | — | |
| SCHEMBL31728559 | 0.80 | CLK1 (0.33) | — | |
| SCHEMBL26967271 | 0.67 | HPGD (0.35) | HTTCHEK1CDC7IKBKBAURKA | |
| SCHEMBL31729097 | 0.67 | PARP1 (0.38) | HTTCHEK1CDC7PIM1CSNK2A1 | |
| SCHEMBL31728139 | 0.67 | KHK (0.34) | — | |
| SCHEMBL31729173 | 0.65 | CLK1 (0.35) | GSK3BBTK | |
| SCHEMBL27089489 | 0.65 | PARP1 (0.41) | CHEK1CDC7IKBKBAURKADAPK3 | |
| SCHEMBL31729320 | 0.65 | HTT (0.41) | HTTCDC7IKBKBAURKADAPK3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025235874-A1 | HETEROCYCLICS AS EGFR INHIBITORS | SCHRÖDINGER, INC. (US) | 2025-11-13 | — | — | WO | disclosed |