Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 4/20 | 0.35 |
| ▸ | EIF2AK3 | Q9NZJ5 | 6/20 | 0.34 |
| ▸ | EPHB4 | P54760 | 4/20 | 0.34 |
| ▸ | EGFR | P00533 | 3/20 | 0.32 |
| ▸ | SRC | P12931 | 3/20 | 0.32 |
| ▸ | ABL1 | P00519 | 2/20 | 0.32 |
| ▸ | HCK | P08631 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.32 |
| ▸ | MTOR | P42345 | 2/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.32 |
| ▸ | PRKDC | P78527 | 2/20 | 0.32 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31728591 | 0.92 | EIF2AK3 (0.39) | CLK1EIF2AK3EPHB4EGFRSRC | |
| SCHEMBL31728559 | 0.84 | CLK1 (0.33) | CLK1EIF2AK3EPHB4PDE5A | |
| SCHEMBL31727944 | 0.81 | KHK (0.38) | CLK1EIF2AK3EPHB4EGFRSRC | |
| SCHEMBL31728213 | 0.80 | EIF2AK3 (0.38) | CLK1EIF2AK3EPHB4EGFRSRC | |
| SCHEMBL31728133 | 0.79 | CLK1 (0.36) | CLK1EIF2AK3EPHB4EGFRSRC | |
| SCHEMBL31728018 | 0.76 | CLK1 (0.36) | CLK1EIF2AK3EPHB4EGFRSRC | |
| SCHEMBL31727792 | 0.76 | PDCD1LG2 (0.36) | CLK1EIF2AK3EPHB4EGFRSRC | |
| SCHEMBL31728476 | 0.74 | PDE5A (0.35) | EPHB4EGFRSRCABL1HCK | |
| SCHEMBL31729163 | 0.73 | CLK1 (0.37) | CLK1EPHB4EGFRSRCABL1 | |
| SCHEMBL31728069 | 0.73 | CLK1 (0.39) | CLK1PI4KB |
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 |