Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 2/20 | 0.65 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.65 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 3/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.31 |
| ▸ | PDE1A | P54750 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30539199 | 1.00 | CDK2 (0.65) | CDK2CCNE1TBK1EGFRAURKB | |
| SCHEMBL25781286 | 0.87 | CDK2 (0.70) | CDK2CCNE1TBK1EGFRAURKB | |
| SCHEMBL30539198 | 0.87 | CDK2 (0.70) | CDK2CCNE1TBK1EGFRAURKB | |
| SCHEMBL25781996 | 0.85 | CCNE1 (0.61) | CDK2CCNE1TBK1EGFRAURKB | |
| SCHEMBL25784837 | 0.79 | CDK2 (1.00) | CDK2CCNE1 | |
| SCHEMBL25782076 | 0.78 | CDK2 (0.78) | CDK2CCNE1TBK1 | |
| SCHEMBL25781988 | 0.76 | CDK2 (0.80) | CDK2CCNE1 | |
| SCHEMBL25404996 | 0.76 | CCNE1 (0.58) | CDK2CCNE1TBK1EGFRAURKB | |
| SCHEMBL25784855 | 0.76 | CCNE1 (0.63) | CDK2CCNE1TBK1EGFRAURKB | |
| SCHEMBL25781998 | 0.76 | CCNE1 (0.79) | CDK2CCNE1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023168686-A1 | SUBSTITUTED CYCLOPENTANES AS CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2023-09-14 | — | — | WO | disclosed |
| WO-2023116884-A1 | CDK2 INHIBITORS AND USE THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2023-06-29 | — | — | WO | disclosed |