Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.51 |
| ▸ | IGF1R | P08069 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | JAK3 | P52333 | 3/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 1/20 | 0.45 |
| ▸ | CCNH | P51946 | 1/20 | 0.45 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21600998 | 0.94 | EGFR (0.49) | EGFRIGF1RKCNH2JAK3CDK1 | |
| SCHEMBL21601036 | 0.89 | EGFR (0.47) | EGFRIGF1RKCNH2CDK1CCNB1 | |
| SCHEMBL21600995 | 0.89 | EGFR (0.47) | EGFRIGF1RKCNH2CDK1CCNB1 | |
| SCHEMBL21600860 | 0.89 | EGFR (0.53) | EGFRIGF1RKCNH2JAK3CDK1 | |
| SCHEMBL21601031 | 0.85 | EGFR (0.62) | EGFRIGF1RKCNH2JAK3CDK1 | |
| SCHEMBL21601000 | 0.81 | EGFR (0.54) | EGFRIGF1RKCNH2JAK3CDK1 | |
| SCHEMBL21600859 | 0.80 | CDK1 (0.62) | EGFRIGF1RKCNH2JAK3CDK1 | |
| SCHEMBL14663910 | 0.79 | EGFR (0.73) | EGFRIGF1RKCNH2 | |
| SCHEMBL21600798 | 0.79 | EGFR (0.51) | EGFRIGF1RKCNH2JAK3CDK1 | |
| SCHEMBL30379569 | 0.79 | EGFR (0.51) | EGFRIGF1RKCNH2JAK3CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |