Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 6/20 | 0.66 |
| ▸ | TTK | P33981 | 5/20 | 0.61 |
| ▸ | PTK2 | Q05397 | 7/20 | 0.57 |
| ▸ | AXL | P30530 | 1/20 | 0.57 |
| ▸ | NEK2 | P51955 | 1/20 | 0.57 |
| ▸ | JAK2 | O60674 | 1/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29017307 | 1.00 | MAP4K1 (0.66) | MAP4K1TTKPTK2AXLNEK2 | |
| SCHEMBL30372758 | 0.91 | AXL (0.69) | MAP4K1TTKPTK2AXLNEK2 | |
| SCHEMBL29017290 | 0.89 | TTK (0.65) | MAP4K1TTKPTK2 | |
| SCHEMBL30372090 | 0.89 | EGFR (0.59) | MAP4K1TTKPTK2AXLNEK2 | |
| SCHEMBL29017297 | 0.80 | AXL (0.58) | MAP4K1TTKPTK2AXLNEK2 | |
| SCHEMBL30372483 | 0.80 | AXL (0.58) | MAP4K1TTKPTK2AXLNEK2 | |
| SCHEMBL30372722 | 0.80 | MAP4K1 (0.81) | MAP4K1AXLNEK2 | |
| SCHEMBL29017414 | 0.80 | MAP4K1 (0.81) | MAP4K1AXLNEK2 | |
| SCHEMBL14547750 | 0.78 | TTK (0.63) | TTKPTK2JAK2 | |
| SCHEMBL23566970 | 0.77 | EGFR (0.77) | TTKPTK2JAK2BRD4 |
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-116239597-B | Pyrimidine pyrrole derivative and medicinal composition and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-116239597-A | Pyrimidine pyrrole derivative and medicinal composition and application thereof | 中国科学院上海药物研究所 | 2023-06-09 | — | — | CN | disclosed |