Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 13/20 | 0.45 |
| ▸ | GAK | O14976 | 3/20 | 0.44 |
| ▸ | FBP1 | P09467 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 2/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | CIT | O14578 | 1/20 | 0.41 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.41 |
| ▸ | BUB1 | O43683 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7021138 | 0.93 | AURKA (0.53) | AURKARPS6KB1EGFRGAKFBP1 | |
| Hydrochloric Acid SCHEMBL7021133 | 0.92 | AURKA (0.53) | AURKARPS6KB1EGFRGAKFBP1 | |
| SCHEMBL7024286 | 0.88 | EGFR (0.53) | AURKARPS6KB1EGFRGAKFBP1 | |
| SCHEMBL7025011 | 0.82 | AURKA (0.56) | AURKARPS6KB1EGFRGAKFBP1 | |
| SCHEMBL7028796 | 0.78 | EGFR (0.51) | AURKARPS6KB1EGFRGAKFBP1 | |
| Hydrochloric Acid SCHEMBL7020994 | 0.77 | EGFR (0.50) | AURKARPS6KB1EGFRGAKFBP1 | |
| SCHEMBL7022596 | 0.75 | BRAF (0.60) | AURKARPS6KB1EGFRGAKFBP1 | |
| SCHEMBL7016715 | 0.74 | EGFR (0.48) | AURKARPS6KB1EGFRGAKFBP1 | |
| Hydrochloric Acid SCHEMBL7017702 | 0.74 | BRAF (0.59) | AURKARPS6KB1EGFRGAKFBP1 | |
| SCHEMBL7016150 | 0.74 | BRAF (0.58) | AURKARPS6KB1EGFRGAKFBP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0831829-B1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER (US) | 2003-08-20 | — | — | EP | disclosed |
| US-6395733-B1 | ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS | PFIZER INC | 2002-05-28 | — | — | US | disclosed |
| EP-0831829-A4 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER (US) | 1998-11-25 | — | — | EP | disclosed |
| EP-0831829-A1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040142-A1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 1996-12-19 | — | — | WO | disclosed |