Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 10/20 | 0.49 |
| ▸ | CDK2 | P24941 | 8/20 | 0.44 |
| ▸ | 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 | 3/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29638113 | 0.84 | EGFR (0.53) | EGFR | |
| SCHEMBL29638114 | 0.82 | ERBB2 (0.52) | EGFR | |
| SCHEMBL29638104 | 0.79 | MAPKAPK2 (0.45) | MAPKAPK2CDK2ROCK2MAPK9GSK3B | |
| SCHEMBL29638121 | 0.74 | ERBB2 (0.52) | EGFR | |
| SCHEMBL29638108 | 0.72 | EGFR (0.52) | EGFR | |
| SCHEMBL30213858 | 0.69 | EGFR (0.49) | MAPK9MAP2K1EGFRCHEK2CSNK1D | |
| SCHEMBL28539842 | 0.68 | AXL (0.48) | EGFR | |
| SCHEMBL29638115 | 0.65 | ALDH1A1 (0.35) | EGFRDPP4KDM4EALDH1A1 | |
| SCHEMBL7855130 | 0.64 | ABL1 (0.51) | MAP2K1EGFRCYP1A2ALDH1A1 | |
| SCHEMBL30213751 | 0.64 | EGFR (0.49) | MAPK9MAP2K1EGFRCHEK2CSNK1D |
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 |