Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.36 |
| ▸ | ABL1 | P00519 | 5/20 | 0.36 |
| ▸ | EGFR | P00533 | 5/20 | 0.36 |
| ▸ | HCK | P08631 | 5/20 | 0.36 |
| ▸ | SRC | P12931 | 5/20 | 0.36 |
| ▸ | KDR | P35968 | 5/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.36 |
| ▸ | MTOR | P42345 | 5/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.36 |
| ▸ | EPHB4 | P54760 | 5/20 | 0.36 |
| ▸ | PRKDC | P78527 | 5/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31728018 | 0.86 | CLK1 (0.36) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL31727929 | 0.84 | KHK (0.37) | KHKPIK3CDABL1EGFRHCK | |
| SCHEMBL31727944 | 0.81 | KHK (0.38) | KHKPIK3CDABL1EGFRHCK | |
| SCHEMBL31727948 | 0.81 | PIK3CD (0.35) | KHKPIK3CDABL1EGFRHCK | |
| SCHEMBL31728133 | 0.81 | CLK1 (0.36) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL31728885 | 0.80 | CNR2 (0.40) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL31729163 | 0.78 | CLK1 (0.37) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL31728618 | 0.76 | CLK1 (0.36) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL31728591 | 0.74 | EIF2AK3 (0.39) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL31728069 | 0.73 | CLK1 (0.39) | MAP4K4CLK1 |
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 |