Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 8/20 | 0.58 |
| ▸ | CDK9 | P50750 | 7/20 | 0.58 |
| ▸ | CDK12 | Q9NYV4 | 7/20 | 0.58 |
| ▸ | CCNK | O75909 | 6/20 | 0.58 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.58 |
| ▸ | CDK1 | P06493 | 5/20 | 0.58 |
| ▸ | CDK7 | P50613 | 4/20 | 0.58 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.58 |
| ▸ | GSK3A | P49840 | 2/20 | 0.58 |
| ▸ | GSK3B | P49841 | 2/20 | 0.58 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.58 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.58 |
| ▸ | CCNH | P51946 | 2/20 | 0.58 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.58 |
| ▸ | CDK13 | Q14004 | 2/20 | 0.58 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.58 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.58 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.58 |
| ▸ | BRD4 | O60885 | 1/20 | 0.58 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL20549634 | 0.85 | CDK2 (0.60) | CDK2CDK9CDK12CCNKCDK5 | |
| SCHEMBL20549633 | 0.85 | CDK2 (0.60) | CDK2CDK9CDK12CCNKCDK5 | |
| SCHEMBL18122650 | 0.85 | CDK2 (0.60) | CDK2CDK9CDK12CCNKCDK5 | |
| SCHEMBL18122653 | 0.85 | CDK2 (0.60) | CDK2CDK9CDK12CCNKCDK5 | |
| SCHEMBL20549615 | 0.83 | CDK2 (0.69) | CDK2CDK9CDK12CCNKCDK5 | |
| SCHEMBL18122651 | 0.83 | CDK2 (0.69) | CDK2CDK9CDK12CCNKCDK5 | |
| SCHEMBL20549441 | 0.83 | CDK9 (0.58) | CDK2CDK9CDK12CCNKCDK5 | |
| SCHEMBL18122679 | 0.83 | CDK9 (0.58) | CDK2CDK9CDK12CCNKCDK5 | |
| SCHEMBL12954256 | 0.82 | CDK2 (0.70) | CDK2CDK9CDK12CCNKCDK5 | |
| SCHEMBL20549428 | 0.82 | CDK9 (0.76) | CDK2CDK9CDK12CCNKCDK5 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112574255-B | 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 | 2024-05-10 | — | — | CN | disclosed |
| WO-2024054953-A1 | HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE | HALDA THERAPEUTICS OPCO, INC. (US) | 2024-03-14 | — | — | WO | disclosed |
| WO-2021057867-A1 | CLASS OF CDK INHIBITOR BASED ON ORGANIC ARSINE, PREPARATION METHOD AND APPLICATION THEREOF | 中国科学院上海有机化学研究所 | 2021-04-01 | — | — | WO | disclosed |
| WO-2021057867-A1 | CLASS OF CDK INHIBITOR BASED ON ORGANIC ARSINE, PREPARATION METHOD AND APPLICATION THEREOF | 中国科学院上海有机化学研究所 | 2021-04-01 | — | — | WO | disclosed |
| 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 |