Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 15/20 | 0.59 |
| ▸ | JAK3 | P52333 | 14/20 | 0.59 |
| ▸ | CDK1 | P06493 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.51 |
| ▸ | JAK1 | P23458 | 4/20 | 0.49 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.49 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.49 |
| ▸ | PLK4 | O00444 | 1/20 | 0.49 |
| ▸ | CIT | O14578 | 1/20 | 0.49 |
| ▸ | GAK | O14976 | 1/20 | 0.49 |
| ▸ | OPA1 | O60313 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | STK16 | O75716 | 1/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.49 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | MARK3 | P27448 | 1/20 | 0.49 |
| ▸ | TYK2 | P29597 | 1/20 | 0.49 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18377059 | 0.93 | CDK1 (0.51) | JAK2JAK3CDK1KDRMAPK10 | |
| SCHEMBL18376855 | 0.92 | JAK2 (0.58) | JAK2JAK3CDK1KDRMAPK10 | |
| SCHEMBL18376779 | 0.90 | TBK1 (0.50) | JAK2JAK3CDK1KDRMAPK10 | |
| SCHEMBL18376850 | 0.88 | JAK2 (0.72) | JAK2JAK3MAPK10JAK1TBK1 | |
| SCHEMBL18376759 | 0.88 | MAPK10 (0.53) | JAK2JAK3CDK1KDRMAPK10 | |
| SCHEMBL18376856 | 0.85 | JAK2 (0.51) | JAK2JAK3CDK1KDRMAPK10 | |
| SCHEMBL18376781 | 0.84 | TBK1 (0.50) | JAK2JAK3CDK1KDRMAPK10 | |
| SCHEMBL28674130 | 0.83 | CDK1 (0.54) | JAK2JAK3CDK1KDRMAPK10 | |
| SCHEMBL18376853 | 0.83 | JAK3 (0.58) | JAK2JAK3CDK1KDRMAPK10 | |
| SCHEMBL28120634 | 0.81 | CDK1 (0.53) | JAK2JAK3CDK1KDRMAPK10 |
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-2017005137-A1 | QUINAZOLINE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF | 吉林大学 | 2017-01-12 | — | — | WO | disclosed |