Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 9/20 | 0.58 |
| ▸ | JAK3 | P52333 | 8/20 | 0.58 |
| ▸ | EGFR | P00533 | 1/20 | 0.55 |
| ▸ | CDK2 | P24941 | 7/20 | 0.49 |
| ▸ | CDK9 | P50750 | 7/20 | 0.49 |
| ▸ | CCNT1 | O60563 | 6/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.49 |
| ▸ | CDK1 | P06493 | 4/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.49 |
| ▸ | CDK7 | P50613 | 3/20 | 0.49 |
| ▸ | CCNH | P51946 | 3/20 | 0.49 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 2/20 | 0.46 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.46 |
| ▸ | PLK4 | O00444 | 1/20 | 0.46 |
| ▸ | CIT | O14578 | 1/20 | 0.46 |
| ▸ | GAK | O14976 | 1/20 | 0.46 |
| ▸ | OPA1 | O60313 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18376839 | 0.93 | EGFR (0.53) | JAK2JAK3EGFRCDK2CDK9 | |
| SCHEMBL18377034 | 0.92 | JAK2 (0.60) | JAK2JAK3EGFRCDK2CDK9 | |
| SCHEMBL18376744 | 0.91 | JAK2 (0.58) | JAK2JAK3EGFRCDK2CDK9 | |
| SCHEMBL18376850 | 0.90 | JAK2 (0.72) | JAK2JAK3CDK2CDK9JAK1 | |
| SCHEMBL18376779 | 0.88 | TBK1 (0.50) | JAK2JAK3EGFRCDK1JAK1 | |
| SCHEMBL28690545 | 0.87 | EGFR (0.54) | JAK2JAK3EGFRCDK2CDK9 | |
| SCHEMBL18376748 | 0.87 | EGFR (0.57) | JAK2JAK3EGFRCDK2CDK9 | |
| SCHEMBL18376747 | 0.86 | EGFR (0.59) | JAK2JAK3EGFRCDK2CDK9 | |
| SCHEMBL18376857 | 0.85 | EGFR (0.58) | JAK2JAK3EGFRCDK2CDK9 | |
| SCHEMBL18376840 | 0.84 | EGFR (0.62) | JAK2JAK3EGFRCDK2CDK9 |
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 |