Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 13/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 12/20 | 0.41 |
| ▸ | CCND1 | P24385 | 7/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 7/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | ULK1 | O75385 | 3/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.33 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24104221 | 0.92 | MAPK14 (0.39) | CDK2CCNE1CCND1CDK6MAPK14 | |
| SCHEMBL23341176 | 0.83 | BRD4 (0.46) | CDK2CCNE1CCND1CDK6MAPK14 | |
| SCHEMBL23340858 | 0.82 | CDK2 (0.44) | CDK2CCNE1CCND1CDK6MAPK14 | |
| SCHEMBL22259521 | 0.82 | CDK2 (0.46) | CDK2CCNE1CCND1CDK6MAPK14 | |
| SCHEMBL23340998 | 0.80 | CDK2 (0.46) | CDK2CCNE1CCND1CDK6MAPK14 | |
| SCHEMBL23340800 | 0.78 | CDK2 (0.48) | CDK2CCNE1CCND1CDK6MAPK14 | |
| SCHEMBL23340889 | 0.78 | CDK2 (0.48) | CDK2CCNE1CCND1CDK6MAPK14 | |
| SCHEMBL24103771 | 0.78 | CCNE1 (0.56) | CDK2CCNE1CCND1CDK6CCNT1 | |
| SCHEMBL23340918 | 0.77 | CDK2 (0.47) | CDK2CCNE1CCND1CDK6MAPK14 | |
| SCHEMBL23340731 | 0.76 | MAPK8 (0.57) | CDK2CCNE1CCND1CDK6CCNA2 |
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-2021249258-A1 | DEUTERATED PYRIDOPYRIMIDINONES AND THEIR USE AS HIGHLY SELECTIVE CYCLIN-DEPENDENT KINASE 2 INHIBITORS | ZENTAUR THERAPEUTICS INTERNATIONAL LIMITED (CN) | 2021-12-16 | — | — | WO | disclosed |