Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 18/20 | 0.91 |
| ▸ | INSR | P06213 | 8/20 | 0.91 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.72 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | ROS1 | P08922 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL886716 | 0.96 | ALK (1.00) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL885735 | 0.90 | ALK (0.90) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886457 | 0.89 | ALK (1.00) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886118 | 0.89 | ALK (0.87) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886176 | 0.88 | ALK (0.85) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886352 | 0.87 | ALK (1.00) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886524 | 0.87 | ALK (0.84) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL885789 | 0.87 | ALK (0.84) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL884940 | 0.87 | ALK (1.00) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886328 | 0.87 | ALK (1.00) | ALKINSRCYP3A4CYP2C9CYP2C19 |
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-2222647-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | Cephalon, Inc. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2008051547-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | CEPHALON, INC. (US) | 2008-05-02 | — | — | WO | disclosed |