Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK7 | P50613 | 6/20 | 0.55 |
| ▸ | CCNH | P51946 | 6/20 | 0.55 |
| ▸ | MNAT1 | P51948 | 5/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.55 |
| ▸ | FLT3 | P36888 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 10/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.47 |
| ▸ | CDK2 | P24941 | 5/20 | 0.47 |
| ▸ | CDK9 | P50750 | 5/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.46 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.45 |
| ▸ | CCNK | O75909 | 1/20 | 0.44 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.44 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21600999 | 0.99 | CDK7 (0.56) | CDK7CCNHMNAT1CDK1CCNB1 | |
| SCHEMBL21600996 | 0.89 | CDK7 (0.53) | CDK7CCNHMNAT1CDK1CCNB1 | |
| SCHEMBL28537409 | 0.89 | EGFR (0.58) | CDK7CCNHMNAT1CDK1CCNB1 | |
| SCHEMBL21601034 | 0.89 | CDK7 (0.54) | CDK7CCNHMNAT1CDK1CCNB1 | |
| SCHEMBL30380016 | 0.86 | CDK7 (0.59) | CDK7CCNHMNAT1CDK1CCNB1 | |
| SCHEMBL21600869 | 0.86 | CDK7 (0.59) | CDK7CCNHMNAT1CDK1CCNB1 | |
| SCHEMBL21601002 | 0.85 | EGFR (0.48) | CDK7CCNHMNAT1CDK1CCNB1 | |
| SCHEMBL21601035 | 0.85 | EGFR (0.49) | CDK7CCNHMNAT1CDK1CCNB1 | |
| SCHEMBL21600993 | 0.83 | EGFR (0.54) | CDK7CCNHMNAT1CDK1CCNB1 | |
| SCHEMBL21600992 | 0.79 | EGFR (0.53) | CDK7CCNHMNAT1CDK1CCNB1 |
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 |