Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 10/20 | 0.45 |
| ▸ | CDK2 | P24941 | 8/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.41 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 6/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.35 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29638106 | 0.83 | EGFR (0.48) | EGFRERBB2ERBB4 | |
| SCHEMBL29638112 | 0.79 | MAPKAPK2 (0.49) | MAPKAPK2CDK2CHEK2CDK1CSNK1D | |
| SCHEMBL29638107 | 0.73 | EGFR (0.35) | EGFRMAPTSMN1; SMN2 | |
| SCHEMBL29638120 | 0.70 | EGFR (0.44) | EGFR | |
| SCHEMBL17188519 | 0.65 | GRM4 (0.44) | MAPKAPK2CDK2CHEK2CDK1CSNK1D | |
| SCHEMBL10891277 | 0.64 | MCHR1 (0.52) | EGFRKDRMAPTSMN1; SMN2 | |
| SCHEMBL10892542 | 0.63 | SMN1; SMN2 (0.50) | EGFRKDRMAPTSMN1; SMN2 | |
| SCHEMBL3024611 | 0.61 | MAPKAPK2 (0.50) | MAPKAPK2CDK2CHEK2KDRMAPT | |
| SCHEMBL28375085 | 0.61 | TSHR (0.46) | MAPTSMN1; SMN2 | |
| SCHEMBL12769217 | 0.60 | METAP2 (0.42) | CDK2CDK1CDK5MAPT |
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-110950871-B | 2-substituted-4-arylamino pyrazolotriazine derivative and application thereof in preparing antitumor drugs | 陕西师范大学 | 2022-05-17 | — | — | CN | claimed |
| CN-110950871-B | 2-substituted-4-arylamino pyrazolotriazine derivative and application thereof in preparing antitumor drugs | 陕西师范大学 | 2022-05-17 | — | — | CN | disclosed |