Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK7 | P50613 | 7/20 | 0.71 |
| ▸ | CDK9 | P50750 | 2/20 | 0.71 |
| ▸ | CDK4 | P11802 | 1/20 | 0.71 |
| ▸ | CCNH | P51946 | 6/20 | 0.42 |
| ▸ | MNAT1 | P51948 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 5/20 | 0.36 |
| ▸ | EGFR | P00533 | 4/20 | 0.36 |
| ▸ | LCK | P06239 | 3/20 | 0.36 |
| ▸ | ITK | Q08881 | 3/20 | 0.36 |
| ▸ | CDK2 | P24941 | 4/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31064033 | 0.89 | CDK7 (0.57) | CDK7CDK9CDK4CCNHMNAT1 | |
| SCHEMBL31064241 | 0.85 | CDK9 (0.54) | CDK7CDK9CDK4MEN1KMT2A | |
| SCHEMBL21539654 | 0.83 | CDK7 (1.00) | CDK7CDK9CDK4CCNHMNAT1 | |
| SCHEMBL20971696 | 0.83 | CDK7 (1.00) | CDK7CDK9CDK4CCNHMNAT1 | |
| SCHEMBL20971700 | 0.83 | CDK7 (1.00) | CDK7CDK9CDK4CCNHMNAT1 | |
| SCHEMBL20971695 | 0.83 | CDK7 (1.00) | CDK7CDK9CDK4CCNHMNAT1 | |
| Hydrochloric Acid SCHEMBL20971692 | 0.82 | CDK7 (0.98) | CDK7CDK9CDK4CCNHMNAT1 | |
| Water SCHEMBL29788116 | 0.80 | CDK7 (0.89) | CDK7CDK9CDK4CCNHMNAT1 | |
| SCHEMBL31064124 | 0.80 | CDK7 (0.59) | CDK7CDK9CDK4CCNHMNAT1 | |
| SCHEMBL20971702 | 0.78 | CDK7 (0.85) | CDK7CDK9CDK4CCNHMNAT1 |
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-2024175024-A1 | NEW FUSED HETEROCYCLIC COMPOUND AS CDKS INHIBITOR AND USE THEREOF | 杭州德睿智药科技有限公司 | 2024-08-29 | — | — | WO | disclosed |