Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.61 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.58 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | JUN | P05412 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | IGF1R | P08069 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | INSR | P06213 | 1/20 | 0.44 |
| ▸ | ROS1 | P08922 | 1/20 | 0.44 |
| ▸ | EML4 | Q9HC35 | 1/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.44 |
| ▸ | CCNK | O75909 | 3/20 | 0.44 |
| ▸ | CDK7 | P50613 | 3/20 | 0.44 |
| ▸ | CDK9 | P50750 | 3/20 | 0.44 |
| ▸ | CCNH | P51946 | 3/20 | 0.44 |
| ▸ | CDK12 | Q9NYV4 | 3/20 | 0.44 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL517613 | 0.89 | EGFR (0.75) | EGFRALKJAK2JAK1IGF1R | |
| SCHEMBL518394 | 0.83 | ALK (0.83) | EGFRALKIGF1RAURKAINSR | |
| SCHEMBL518242 | 0.82 | EGFR (0.60) | EGFRALKJAK2JAK1JUN | |
| SCHEMBL573659 | 0.82 | EGFR (0.57) | EGFRALKJAK2JAK1JUN | |
| SCHEMBL517036 | 0.81 | EGFR (0.74) | EGFRALKIGF1RAURKAINSR | |
| SCHEMBL517390 | 0.80 | ALK (0.84) | EGFRALKJAK2JAK1IGF1R | |
| SCHEMBL517301 | 0.80 | EGFR (0.72) | EGFRALKIGF1RAURKAINSR | |
| SCHEMBL517332 | 0.79 | ALK (0.70) | EGFRALKJAK2JAK1JUN | |
| SCHEMBL517586 | 0.77 | ALK (0.65) | EGFRALKIGF1RCCNT1CCNK | |
| SCHEMBL517495 | 0.77 | EGFR (0.85) | EGFRALKIGF1RINSR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2601186-A2 | 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS | AstraZeneca AB (SE) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012017239-A2 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2012-02-09 | — | — | WO | disclosed |