Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 19/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | CDK6 | Q00534 | 17/20 | 0.53 |
| ▸ | CCND1 | P24385 | 2/20 | 0.53 |
| ▸ | CCND3 | P30281 | 2/20 | 0.53 |
| ▸ | CDK2 | P24941 | 14/20 | 0.51 |
| ▸ | CDK1 | P06493 | 8/20 | 0.51 |
| ▸ | CDK9 | P50750 | 5/20 | 0.51 |
| ▸ | CDK7 | P50613 | 4/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.49 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.49 |
| ▸ | CIT | O14578 | 1/20 | 0.48 |
| ▸ | GAK | O14976 | 1/20 | 0.48 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.48 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.48 |
| ▸ | STK16 | O75716 | 1/20 | 0.48 |
| ▸ | CCNK | O75909 | 1/20 | 0.48 |
| ▸ | STK10 | O94804 | 1/20 | 0.48 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29402884 | 1.00 | CDK4 (0.57) | CDK4HDAC1CDK6CCND1CCND3 | |
| SCHEMBL29709819 | 0.91 | CDK4 (0.52) | CDK4HDAC1CDK6CCND1CCND3 | |
| SCHEMBL28355684 | 0.91 | CDK4 (0.52) | CDK4HDAC1CDK6CCND1CCND3 | |
| Water SCHEMBL28359822 | 0.90 | CDK4 (0.52) | CDK4HDAC1CDK6CCND1CCND3 | |
| Water SCHEMBL29709879 | 0.90 | CDK4 (0.52) | CDK4HDAC1CDK6CCND1CCND3 | |
| SCHEMBL19968037 | 0.89 | CDK4 (0.64) | CDK4CDK6CCND1CCND3CDK2 | |
| SCHEMBL29405233 | 0.89 | CDK4 (0.64) | CDK4CDK6CCND1CCND3CDK2 | |
| SCHEMBL28487809 | 0.84 | CDK4 (0.56) | CDK4HDAC1CDK6CCND1CCND3 | |
| SCHEMBL28488751 | 0.83 | CDK4 (0.63) | CDK4CDK6CCND1CCND3CDK2 | |
| SCHEMBL29404659 | 0.83 | CDK4 (0.63) | CDK4CDK6CCND1CCND3CDK2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115040523-A | Use of PI3K inhibitors in combination with estrogen receptor antagonists for the treatment of neoplastic diseases | 上海翰森生物医药科技有限公司 | 2022-09-13 | — | — | CN | claimed |
| CN-110790748-B | Crystal form of p-toluenesulfonate of cyclin dependent kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-04-19 | — | — | CN | claimed |
| CN-110790748-A | Crystal form of p-toluenesulfonate of cyclin dependent kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2020-02-14 | — | — | CN | claimed |
| CN-111138413-B | Preparation method of cyclin-dependent kinase inhibitor and intermediate thereof | 江苏豪森药业集团有限公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-115040523-A | Use of PI3K inhibitors in combination with estrogen receptor antagonists for the treatment of neoplastic diseases | 上海翰森生物医药科技有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-112225724-B | Benzimidazole compound kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-110790748-B | Crystal form of p-toluenesulfonate of cyclin dependent kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-04-19 | — | — | CN | disclosed |
| CN-112250669-B | Benzimidazole compound kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-02-25 | — | — | CN | disclosed |
| CN-110117272-B | Salts of cyclin dependent kinase inhibitors and crystalline forms thereof | 上海翰森生物医药科技有限公司 | 2021-12-10 | — | — | CN | disclosed |
| CN-112250669-A | Benzimidazole compound kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2021-01-22 | — | — | CN | disclosed |
| CN-112225724-A | Benzimidazole compound kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2021-01-15 | — | — | CN | disclosed |
| CN-109963842-B | Benzimidazole compound kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2020-11-03 | — | — | CN | disclosed |
| CN-111138413-A | Preparation method and intermediate of cyclin-dependent kinase inhibitor | 江苏豪森药业集团有限公司 | 2020-05-12 | — | — | CN | disclosed |
| CN-110790748-A | Crystal form of p-toluenesulfonate of cyclin dependent kinase inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2020-02-14 | — | — | CN | disclosed |
| WO-2018045956-A1 | BENZIMIDAZOLE COMPOUND KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏豪森药业集团有限公司 | 2018-03-15 | — | — | WO | disclosed |