Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 20/20 | 1.00 |
| ▸ | CDK1 | P06493 | 11/20 | 1.00 |
| ▸ | CCNB1 | P14635 | 9/20 | 1.00 |
| ▸ | CCNE1 | P24864 | 9/20 | 1.00 |
| ▸ | CDK6 | Q00534 | 15/20 | 0.86 |
| ▸ | CDK2 | P24941 | 14/20 | 0.86 |
| ▸ | CDK9 | P50750 | 5/20 | 0.85 |
| ▸ | CDK7 | P50613 | 4/20 | 0.85 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.82 |
| ▸ | CCND3 | P30281 | 2/20 | 0.82 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.82 |
| ▸ | JAK2 | O60674 | 1/20 | 0.82 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.82 |
| ▸ | EGFR | P00533 | 1/20 | 0.82 |
| ▸ | RAF1 | P04049 | 1/20 | 0.82 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.82 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.82 |
| ▸ | SRC | P12931 | 1/20 | 0.82 |
| ▸ | BRAF | P15056 | 1/20 | 0.82 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.82 |
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 | |
|---|---|---|---|---|
| SCHEMBL18289076 | 0.94 | CDK4 (1.00) | CDK4CDK1CCNB1CCNE1CDK6 | |
| SCHEMBL18288930 | 0.93 | CDK4 (0.89) | CDK4CDK1CCNB1CCNE1CDK6 | |
| SCHEMBL20548965 | 0.93 | CDK4 (0.87) | CDK4CDK1CCNB1CCNE1CDK6 | |
| SCHEMBL18288949 | 0.93 | CDK4 (0.89) | CDK4CDK1CCNB1CCNE1CDK6 | |
| SCHEMBL17485310 | 0.92 | CDK4 (1.00) | CDK4CDK1CCNB1CCNE1CDK6 | |
| SCHEMBL19089098 | 0.92 | CDK4 (0.91) | CDK4CDK1CCNB1CCNE1CDK6 | |
| SCHEMBL18288943 | 0.92 | CDK4 (1.00) | CDK4CDK1CCNB1CCNE1CDK6 | |
| Hydrochloric Acid SCHEMBL20548753 | 0.92 | CDK4 (0.90) | CDK4CDK1CCNB1CCNE1CDK6 | |
| SCHEMBL18288922 | 0.92 | CDK4 (1.00) | CDK4CDK1CCNB1CCNE1CDK6 | |
| SCHEMBL19088970 | 0.92 | CDK4 (1.00) | CDK4CDK1CCNB1CCNE1CDK6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016192630-A1 | COMPOUND HAVING KINASE INHIBITING ACTIVITY, METHOD OF PREPARING SAME, AND USE OF SAME | 中国科学院上海药物研究所 | 2016-12-08 | — | — | WO | disclosed |
| WO-2016015604-A1 | COMPOUNDS AS CDK SMALL-MOLECULE INHIBITORS AND USES THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-02-04 | — | — | WO | disclosed |
| WO-2016015604-A1 | COMPOUNDS AS CDK SMALL-MOLECULE INHIBITORS AND USES THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-02-04 | — | — | WO | disclosed |