Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK7 | P50613 | 3/20 | 0.43 |
| ▸ | CCNH | P51946 | 3/20 | 0.43 |
| ▸ | EGFR | P00533 | 6/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 4/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.37 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30886756 | 0.83 | EGFR (0.48) | CDK7CCNHEGFRFLT3HTR6 | |
| SCHEMBL28544825 | 0.81 | EGFR (0.57) | CDK7CCNHEGFRCDK5CDK5R1 | |
| SCHEMBL28545899 | 0.77 | EGFR (0.39) | CDK7CCNHEGFRFLT3HTR6 | |
| SCHEMBL29613438 | 0.76 | EGFR (0.51) | CDK7CCNHEGFRFLT3HTR6 | |
| SCHEMBL16665592 | 0.76 | EGFR (0.51) | CDK7CCNHEGFRFLT3HTR6 | |
| SCHEMBL15649053 | 0.76 | CDK7 (0.55) | CDK7CCNHEGFRHTR6CDK5 | |
| SCHEMBL29613463 | 0.76 | CDK7 (0.55) | CDK7CCNHEGFRHTR6CDK5 | |
| SCHEMBL19024499 | 0.76 | CDK7 (0.44) | CDK7CCNHEGFRFLT3HTR6 | |
| SCHEMBL19024484 | 0.75 | CDK7 (0.46) | CDK7CCNHEGFRFLT3HTR6 | |
| SCHEMBL29613470 | 0.75 | EGFR (0.48) | CDK7CCNHEGFRFLT3HTR6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112574255-A | Organic arsine-based CDK inhibitor and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2021-03-30 | — | — | CN | disclosed |