Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 11/20 | 0.66 |
| ▸ | INSR | P06213 | 8/20 | 0.66 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | EGFR | P00533 | 4/20 | 0.58 |
| ▸ | ZAP70 | P43403 | 3/20 | 0.58 |
| ▸ | IGF1R | P08069 | 2/20 | 0.58 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.57 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.57 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.57 |
| ▸ | CDC7 | O00311 | 1/20 | 0.56 |
| ▸ | PLK4 | O00444 | 1/20 | 0.56 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.56 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.56 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.56 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL17059196 | 0.88 | EGFR (0.52) | ALKINSRLRRK2CYP3A4CYP2C9 | |
| SCHEMBL28053860 | 0.86 | ALK (0.76) | ALKINSRLRRK2CYP3A4CYP2C9 | |
| SCHEMBL17059199 | 0.85 | EGFR (0.52) | ALKINSRLRRK2CYP3A4CYP2C9 | |
| SCHEMBL28053995 | 0.84 | EGFR (0.68) | ALKINSRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21846991 | 0.84 | ALK (0.77) | ALKINSRLRRK2EGFRZAP70 | |
| SCHEMBL29435438 | 0.84 | ALK (0.77) | ALKINSRLRRK2EGFRZAP70 | |
| SCHEMBL28448563 | 0.81 | EGFR (0.47) | ALKINSRLRRK2CYP3A4CYP2C9 | |
| SCHEMBL24178918 | 0.81 | EGFR (0.50) | ALKINSRKCNH2EGFRZAP70 | |
| SCHEMBL26528477 | 0.80 | ALK (0.60) | ALKINSREGFRIGF1RAURKA | |
| SCHEMBL17792771 | 0.80 | EGFR (0.53) | ALKINSRKCNH2EGFRZAP70 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105384694-B | Substituted aminopyrimidine derivative and preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2020-09-04 | — | — | CN | disclosed |
| CN-105384694-A | Substituted aminopyrimidine derivative, preparation method therefor and pharmaceutical application thereof | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2016-03-09 | — | — | CN | disclosed |