Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 9/20 | 0.37 |
| ▸ | CDK4 | P11802 | 5/20 | 0.37 |
| ▸ | CDK6 | Q00534 | 4/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 3/20 | 0.36 |
| ▸ | CCND3 | P30281 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22129320 | 1.00 | ACACB (0.41) | ACACBEGFRCDK4CDK6CDK2 | |
| SCHEMBL23749397 | 0.87 | L3MBTL1 (0.39) | ACACBEGFRCDK4CDK6CDK2 | |
| SCHEMBL23749394 | 0.87 | L3MBTL1 (0.39) | ACACBEGFRCDK4CDK6CDK2 | |
| SCHEMBL21539413 | 0.82 | CDK4 (0.40) | ACACBEGFRCDK4CDK6CDK2 | |
| SCHEMBL22150961 | 0.79 | CDK4 (0.34) | EGFRCDK4CDK6CDK2CCND1 | |
| SCHEMBL22150238 | 0.79 | CDK4 (0.34) | EGFRCDK4CDK6CDK2CCND1 | |
| SCHEMBL31493901 | 0.78 | AAK1 (0.39) | ACACBEGFRCDK4CDK6CCND1 | |
| SCHEMBL31493878 | 0.78 | AAK1 (0.39) | ACACBEGFRCDK4CDK6CCND1 | |
| SCHEMBL22129294 | 0.78 | CDK4 (0.49) | EGFRCDK4CDK6CDK2CCND1 | |
| SCHEMBL22129323 | 0.78 | CDK4 (0.49) | EGFRCDK4CDK6CDK2CCND1 |
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-111989332-B | Macrocyclic compounds as CDK inhibitors, their preparation and their use in medicine | 凯复(苏州)生物医药有限公司 | 2022-07-26 | — | — | CN | disclosed |
| EP-3865488-A1 | MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE | Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) | 2021-08-18 | — | — | EP | disclosed |
| CN-111989332-A | Macrocyclic compounds as CDK inhibitors, method for the production thereof and their use in medicine | 凯复(苏州)生物医药有限公司 | 2020-11-24 | — | — | CN | disclosed |
| WO-2020125513-A1 | MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE | 凯复制药有限公司 | 2020-06-25 | — | — | WO | disclosed |
| WO-2020125513-A1 | MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE | 凯复制药有限公司 | 2020-06-25 | — | — | WO | disclosed |