Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28544401 | 0.95 | KDR (0.38) | KDRBRAFMAPKAPK2CDK2 | |
| SCHEMBL28539873 | 0.84 | EGFR (0.55) | — | |
| SCHEMBL28547006 | 0.83 | EPHA2 (0.39) | KDRMAPKAPK2CDK2 | |
| SCHEMBL28551776 | 0.82 | ERBB2 (0.42) | KDR | |
| SCHEMBL28546222 | 0.82 | EPHA2 (0.39) | KDRMAPKAPK2CDK2 | |
| SCHEMBL28537260 | 0.81 | EGFR (0.42) | — | |
| SCHEMBL28546210 | 0.80 | EGFR (0.48) | KDRBRAF | |
| SCHEMBL28542821 | 0.79 | EGFR (0.54) | — | |
| SCHEMBL28544429 | 0.78 | ERBB2 (0.41) | KDR | |
| SCHEMBL30213858 | 0.75 | EGFR (0.49) | KDRBRAF |
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-112574177-A | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2021-03-30 | — | — | CN | claimed |
| CN-112574177-A | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2021-03-30 | — | — | CN | disclosed |