Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 13/20 | 0.49 |
| ▸ | IGF1R | P08069 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | CDK7 | P50613 | 1/20 | 0.48 |
| ▸ | CCNH | P51946 | 1/20 | 0.48 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.48 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | FGFR4 | P22455 | 2/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
| ▸ | MAPK3 | P27361 | 3/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.41 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21596377 | 1.00 | EGFR (0.49) | EGFRIGF1RKCNH2CDK1CCNB1 | |
| SCHEMBL30379569 | 0.93 | EGFR (0.51) | EGFRIGF1RKCNH2CDK1CCNB1 | |
| SCHEMBL21600798 | 0.93 | EGFR (0.51) | EGFRIGF1RKCNH2CDK1CCNB1 | |
| SCHEMBL28537203 | 0.92 | EGFR (0.49) | EGFRIGF1RKCNH2CDK1CCNB1 | |
| SCHEMBL21600885 | 0.89 | CDK1 (0.47) | EGFRIGF1RKCNH2CDK1CCNB1 | |
| SCHEMBL21600860 | 0.88 | EGFR (0.53) | EGFRIGF1RKCNH2CDK1CCNB1 | |
| SCHEMBL28529195 | 0.87 | CDK2 (0.49) | EGFRIGF1RKCNH2CDK1CCNB1 | |
| SCHEMBL21600975 | 0.84 | JAK3 (0.44) | EGFRJAK3FGFR4FGFR1MAPK3 | |
| SCHEMBL21600859 | 0.84 | CDK1 (0.62) | EGFRIGF1RKCNH2CDK1CCNB1 | |
| SCHEMBL21600952 | 0.83 | CDK2 (0.47) | EGFRIGF1RKCNH2CDK1CCNB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112313207-B | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2023-02-14 | — | — | CN | disclosed |