Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 17/20 | 0.71 |
| ▸ | INSR | P06213 | 8/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.65 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.49 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 3/20 | 0.45 |
| ▸ | ZAP70 | P43403 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL885854 | 0.91 | ALK (0.87) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886507 | 0.85 | ALK (0.84) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886292 | 0.84 | ALK (0.75) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL885691 | 0.84 | ALK (1.00) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886027 | 0.81 | ALK (0.88) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886471 | 0.80 | ALK (0.82) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886174 | 0.80 | ALK (1.00) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886022 | 0.79 | ALK (0.73) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL886198 | 0.78 | ALK (0.91) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2061758 | 0.77 | ALK (0.81) | 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 |