Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 7/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | RHEB | Q15382 | 2/20 | 0.38 |
| ▸ | CLK1 | P49759 | 2/20 | 0.37 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.36 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.36 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31727762 | 0.83 | MAP4K4 (0.48) | MAP4K4LIMK1CLK1KDREGFR | |
| SCHEMBL31728362 | 0.82 | MAP4K4 (0.45) | MAP4K4LIMK1CLK1KDREGFR | |
| SCHEMBL31729141 | 0.82 | MAP4K4 (0.41) | MAP4K4LIMK1CLK1KDREGFR | |
| SCHEMBL31727760 | 0.75 | MAP4K4 (0.48) | MAP4K4LIMK1CLK1KDREGFR | |
| SCHEMBL31727978 | 0.73 | DHFR (0.51) | MAP4K4LIMK1CLK1KDREGFR | |
| SCHEMBL31728354 | 0.71 | MAP4K4 (0.54) | MAP4K4LIMK1CLK1KDREGFR | |
| SCHEMBL31728787 | 0.69 | MAP4K4 (0.51) | MAP4K4LIMK1CLK1KDREGFR | |
| SCHEMBL31728078 | 0.64 | CLK1 (0.48) | MAP4K4LIMK1CLK1IKBKEADK | |
| SCHEMBL31728892 | 0.64 | PDE5A (0.41) | MAP4K4LIMK1CLK1EGFR | |
| SCHEMBL31728028 | 0.62 | MAP4K4 (0.50) | MAP4K4LIMK1CLK1KDREGFR |
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 |