Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCND3 | P30281 | 11/20 | 0.52 |
| ▸ | CDK6 | Q00534 | 11/20 | 0.52 |
| ▸ | CDK9 | P50750 | 9/20 | 0.50 |
| ▸ | CCNK | O75909 | 8/20 | 0.50 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | CTSC | P53634 | 3/20 | 0.46 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 1/20 | 0.45 |
| ▸ | CCNH | P51946 | 1/20 | 0.45 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29017308 | 0.79 | JAK3 (0.53) | CCND3CDK6CDK9CCNKPTK2 | |
| SCHEMBL24327576 | 0.77 | PTK2 (0.51) | CCND3CDK6CDK9CCNKPTK2 | |
| SCHEMBL29017291 | 0.76 | PTK2 (0.54) | PTK2 | |
| SCHEMBL30372483 | 0.76 | AXL (0.58) | CCND3CDK6CDK9CCNKPTK2 | |
| SCHEMBL29017297 | 0.76 | AXL (0.58) | CCND3CDK6CDK9CCNKPTK2 | |
| SCHEMBL30736077 | 0.76 | EGFR (0.66) | CCND3CDK6CDK9CCNKPTK2 | |
| SCHEMBL23567021 | 0.76 | EGFR (0.66) | CCND3CDK6CDK9CCNKPTK2 | |
| SCHEMBL18696331 | 0.71 | TTK (0.63) | CCND3CDK6CDK9CCNKPTK2 | |
| SCHEMBL24327431 | 0.71 | ALK (0.53) | CCND3CDK6CDK9CCNKPTK2 | |
| SCHEMBL29015721 | 0.71 | ALK (0.53) | CCND3CDK6CDK9CCNKPTK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116239597-A | Pyrimidine pyrrole derivative and medicinal composition and application thereof | 中国科学院上海药物研究所 | 2023-06-09 | — | — | CN | disclosed |