Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 12/20 | 0.52 |
| ▸ | JUN | P05412 | 9/20 | 0.52 |
| ▸ | MAPK8 | P45983 | 9/20 | 0.52 |
| ▸ | MAPK9 | P45984 | 9/20 | 0.52 |
| ▸ | MAPK10 | P53779 | 6/20 | 0.52 |
| ▸ | CDK9 | P50750 | 10/20 | 0.51 |
| ▸ | CDK7 | P50613 | 10/20 | 0.51 |
| ▸ | CCNH | P51946 | 10/20 | 0.51 |
| ▸ | MNAT1 | P51948 | 10/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 9/20 | 0.51 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.49 |
| ▸ | CCNK | O75909 | 7/20 | 0.47 |
| ▸ | CDK12 | Q9NYV4 | 7/20 | 0.47 |
| ▸ | CDK13 | Q14004 | 4/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.46 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23152039 | 1.00 | CDK2 (0.52) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL19024439 | 0.93 | CDK2 (0.51) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL19024436 | 0.93 | CDK2 (0.51) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL29613414 | 0.90 | HTR6 (0.53) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL16655047 | 0.90 | HTR6 (0.53) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL16655048 | 0.90 | HTR6 (0.53) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL17141147 | 0.90 | CDK2 (0.48) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL18045081 | 0.90 | CDK7 (0.48) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL16655056 | 0.90 | CDK7 (0.48) | CDK2JUNMAPK8MAPK9MAPK10 | |
| SCHEMBL20041226 | 0.89 | CCNT1 (0.61) | CDK2JUNMAPK8MAPK9MAPK10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-3544971-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF | Dana-Farber Cancer Institute, Inc. (US) | 2019-10-02 | — | — | EP | disclosed |
| WO-2018098361-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-05-31 | — | — | WO | disclosed |