Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.65 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | CIT | O14578 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | GAK | O14976 | 1/20 | 0.42 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.42 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.42 |
| ▸ | BUB1 | O43683 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.42 |
| ▸ | STK17B | O94768 | 1/20 | 0.42 |
| ▸ | STK10 | O94804 | 1/20 | 0.42 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13672629 | 0.96 | EGFR (0.70) | EGFRERBB2CDK1PLK4CIT | |
| SCHEMBL14441621 | 0.83 | EGFR (0.56) | EGFRERBB2CDK1PLK4CIT | |
| SCHEMBL13672632 | 0.81 | EGFR (0.61) | EGFRERBB2PLK4CITAURKA | |
| SCHEMBL5069412 | 0.81 | EGFR (0.57) | EGFRCDK1AURKADYRK1ADYRK1B | |
| SCHEMBL13675038 | 0.80 | EGFR (0.83) | EGFRCDK1CYP3A4 | |
| SCHEMBL13672630 | 0.79 | EGFR (1.00) | EGFRCDK1 | |
| SCHEMBL13672634 | 0.79 | EGFR (0.54) | EGFRCDK1CDK2HDAC3HDAC1 | |
| SCHEMBL14461355 | 0.78 | EGFR (0.80) | EGFRCDK1 | |
| SCHEMBL13672649 | 0.75 | EGFR (0.67) | EGFRDYRK1ADYRK1BHDAC3HDAC1 | |
| SCHEMBL13672679 | 0.73 | EGFR (0.58) | EGFRERBB2PLK4CITAURKA |
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 |
|---|---|---|---|---|---|---|---|
| US-7605154-B2 | ATP-protein kinase inhibitors; cytomegalovirus; contraceptive agents; cancer; N7-(3-ethynyl-phenyl)-N2-(4-piperidin-1-ylmethyl-phenyl)-thiazolo[4,5-d]pyrimidine-2,7-diamine | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-10-20 | — | — | US | disclosed |