Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK7 | P50613 | 19/20 | 0.74 |
| ▸ | CCNH | P51946 | 17/20 | 0.74 |
| ▸ | CCNK | O75909 | 15/20 | 0.74 |
| ▸ | CDK9 | P50750 | 15/20 | 0.74 |
| ▸ | CDK12 | Q9NYV4 | 15/20 | 0.74 |
| ▸ | CCNT1 | O60563 | 14/20 | 0.74 |
| ▸ | CDK2 | P24941 | 12/20 | 0.74 |
| ▸ | MNAT1 | P51948 | 11/20 | 0.74 |
| ▸ | CDK13 | Q14004 | 12/20 | 0.60 |
| ▸ | CCNA2 | P20248 | 10/20 | 0.60 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.60 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.58 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.54 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.54 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.54 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.54 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.54 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.54 |
| ▸ | JUN | P05412 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16665178 | 0.92 | CDK7 (0.88) | CDK7CCNHCCNKCDK9CDK12 | |
| SCHEMBL18072745 | 0.92 | CDK7 (0.88) | CDK7CCNHCCNKCDK9CDK12 | |
| SCHEMBL16665179 | 0.92 | CDK7 (0.88) | CDK7CCNHCCNKCDK9CDK12 | |
| SCHEMBL18047265 | 0.92 | CDK7 (0.88) | CDK7CCNHCCNKCDK9CDK12 | |
| SCHEMBL28349896 | 0.88 | CDK7 (0.75) | CDK7CCNHCCNKCDK9CDK12 | |
| SCHEMBL23040295 | 0.87 | CDK7 (0.67) | CDK7CCNHCCNKCDK9CDK12 | |
| SCHEMBL16654935 | 0.87 | CDK7 (0.67) | CDK7CCNHCCNKCDK9CDK12 | |
| SCHEMBL16656090 | 0.87 | CDK7 (0.84) | CDK7CCNHCCNKCDK9CDK12 | |
| SCHEMBL23336512 | 0.85 | CDK7 (0.66) | CDK7CCNHCCNKCDK9CDK12 | |
| SCHEMBL29366824 | 0.85 | CDK7 (1.00) | CDK7CCNHCCNKCDK9CDK12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3057956-A1 | POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | Dana-Farber Cancer Institute, Inc. (US) | 2016-08-24 | — | — | EP | disclosed |
| WO-2015058140-A1 | POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2015-04-23 | — | — | WO | disclosed |