Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.58 |
| ▸ | CDK7 | P50613 | 3/20 | 0.56 |
| ▸ | CCNH | P51946 | 3/20 | 0.56 |
| ▸ | MNAT1 | P51948 | 3/20 | 0.56 |
| ▸ | CDK1 | P06493 | 1/20 | 0.56 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.56 |
| ▸ | FLT3 | P36888 | 1/20 | 0.56 |
| ▸ | IGF1R | P08069 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.48 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | CDK9 | P50750 | 2/20 | 0.47 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL21600992 | 0.90 | EGFR (0.53) | EGFRCDK7CCNHMNAT1CDK1 | |
| SCHEMBL21600999 | 0.90 | CDK7 (0.56) | EGFRCDK7CCNHMNAT1CDK1 | |
| SCHEMBL21600994 | 0.89 | CDK7 (0.54) | EGFRCDK7CCNHMNAT1CDK1 | |
| SCHEMBL21600990 | 0.89 | EGFR (0.57) | EGFRCDK7CCNHMNAT1CDK1 | |
| SCHEMBL21601001 | 0.89 | CDK7 (0.55) | EGFRCDK7CCNHMNAT1CDK1 | |
| SCHEMBL21600982 | 0.88 | EGFR (0.58) | EGFRCDK7CCNHMNAT1CDK1 | |
| SCHEMBL30380016 | 0.88 | CDK7 (0.59) | EGFRCDK7CCNHMNAT1CDK1 | |
| SCHEMBL21600869 | 0.88 | CDK7 (0.59) | EGFRCDK7CCNHMNAT1CDK1 | |
| SCHEMBL19467707 | 0.85 | EGFR (0.65) | EGFRCDK7CCNHMNAT1IGF1R | |
| SCHEMBL28537191 | 0.85 | EGFR (0.67) | EGFRCDK7CCNHMNAT1CDK1 |
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-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 |
| CN-112313207-A | 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 | 2021-02-02 | — | — | CN | disclosed |