Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 9/20 | 0.61 |
| ▸ | BCR | P11274 | 7/20 | 0.61 |
| ▸ | BRAF | P15056 | 5/20 | 0.55 |
| ▸ | RAF1 | P04049 | 1/20 | 0.55 |
| ▸ | KIT | P10721 | 5/20 | 0.50 |
| ▸ | LCK | P06239 | 4/20 | 0.50 |
| ▸ | KDR | P35968 | 3/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.50 |
| ▸ | CSF1R | P07333 | 3/20 | 0.50 |
| ▸ | BTK | Q06187 | 1/20 | 0.50 |
| ▸ | TEK | Q02763 | 2/20 | 0.49 |
| ▸ | JAK3 | P52333 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.48 |
| ▸ | SRC | P12931 | 2/20 | 0.48 |
| ▸ | FES | P07332 | 1/20 | 0.48 |
| ▸ | RET | P07949 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 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 | |
|---|---|---|---|---|
| SCHEMBL29071332 | 1.00 | ABL1 (0.61) | ABL1BCRBRAFRAF1KIT | |
| SCHEMBL29921842 | 0.90 | ABL1 (0.50) | ABL1BCRBRAFRAF1 | |
| SCHEMBL29071308 | 0.90 | ABL1 (0.50) | ABL1BCRBRAFRAF1 | |
| SCHEMBL29071238 | 0.89 | ABL1 (0.60) | ABL1BCRBRAFRAF1KDR | |
| SCHEMBL29921690 | 0.89 | ABL1 (0.60) | ABL1BCRBRAFRAF1KDR | |
| SCHEMBL29921741 | 0.88 | ABL1 (0.65) | ABL1BCRBRAFRAF1KIT | |
| SCHEMBL29071318 | 0.88 | ABL1 (0.65) | ABL1BCRBRAFRAF1KIT | |
| SCHEMBL29921672 | 0.88 | BRAF (0.49) | ABL1BCRBRAFKITLCK | |
| SCHEMBL29071494 | 0.88 | BRAF (0.49) | ABL1BCRBRAFKITLCK | |
| SCHEMBL29921343 | 0.86 | ABL1 (0.49) | ABL1BCRBRAFRAF1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022188792-A1 | HETEROCYCLIC COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2022-09-15 | — | — | WO | disclosed |