Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.36 |
| ▸ | CDK9 | P50750 | 5/20 | 0.33 |
| ▸ | CDK4 | P11802 | 3/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCND3 | P30281 | 2/20 | 0.32 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 3/20 | 0.31 |
| ▸ | PIM1 | P11309 | 2/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22650630 | 0.90 | CDK9 (0.35) | EGFRCDK9BRD4 | |
| SCHEMBL22650541 | 0.83 | EGFR (0.36) | EGFRCDK9CDK4CCNT1CCND1 | |
| SCHEMBL22650624 | 0.82 | EGFR (0.34) | EGFRCCND3CDK6 | |
| SCHEMBL22650620 | 0.81 | CDK2 (0.36) | EGFRCDK9BRD4 | |
| SCHEMBL22650536 | 0.80 | JAK2 (0.34) | EGFRCDK9BRD4 | |
| SCHEMBL22650619 | 0.79 | CDK4 (0.40) | CDK9CDK4CCNT1CCND1CCND3 | |
| SCHEMBL22650627 | 0.78 | CDK4 (0.39) | CDK9CDK4CCNT1CCND1CCND3 | |
| SCHEMBL22650519 | 0.77 | EGFR (0.36) | EGFRCDK9CDK4CCND1CCND3 | |
| SCHEMBL22650578 | 0.77 | IKBKB (0.35) | EGFRCDK9BRD4 | |
| SCHEMBL22650626 | 0.76 | CDK2 (0.39) | CDK9CCNT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |