Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.58 |
| ▸ | CCNT1 | O60563 | 10/20 | 0.53 |
| ▸ | CCNA2 | P20248 | 10/20 | 0.53 |
| ▸ | CDK2 | P24941 | 10/20 | 0.53 |
| ▸ | CDK9 | P50750 | 10/20 | 0.53 |
| ▸ | CDK1 | P06493 | 5/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.51 |
| ▸ | CDK7 | P50613 | 4/20 | 0.51 |
| ▸ | CCNH | P51946 | 4/20 | 0.51 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.51 |
| ▸ | JAK2 | O60674 | 5/20 | 0.50 |
| ▸ | BRD4 | O60885 | 3/20 | 0.50 |
| ▸ | FLT3 | P36888 | 2/20 | 0.50 |
| ▸ | JAK3 | P52333 | 3/20 | 0.49 |
| ▸ | JAK1 | P23458 | 1/20 | 0.49 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.47 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL18376829 | 0.92 | EGFR (0.60) | EGFRCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL18376831 | 0.91 | EGFR (0.56) | EGFRCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL18376833 | 0.91 | EGFR (0.56) | EGFRCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL18377030 | 0.90 | JAK2 (0.58) | EGFRCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL29371808 | 0.90 | JAK2 (0.58) | EGFRCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL28690545 | 0.89 | EGFR (0.54) | EGFRCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL29368834 | 0.88 | EGFR (0.62) | EGFRCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL18376840 | 0.88 | EGFR (0.62) | EGFRCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL18376753 | 0.87 | PTK2 (0.56) | JAK2BRD4JAK3JAK1PTK2 | |
| SCHEMBL18376249 | 0.87 | EGFR (0.61) | EGFRCCNT1CCNA2CDK2CDK9 |
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 |