Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30175537 | 1.00 | EGFR (0.38) | EGFRKDRPTK2CCNT1CDK9 | |
| SCHEMBL30175544 | 0.89 | CCNT1 (0.43) | EGFRCCNT1CDK9ALDH1A1 | |
| SCHEMBL28972998 | 0.89 | CCNT1 (0.43) | EGFRCCNT1CDK9ALDH1A1 | |
| SCHEMBL19089534 | 0.83 | CDC7 (0.44) | EGFRKDRPTK2CCNT1CDK9 | |
| SCHEMBL35210303 | 0.83 | CDC7 (0.44) | EGFRKDRPTK2CCNT1CDK9 | |
| SCHEMBL28973001 | 0.83 | CCNT1 (0.37) | EGFRCCNT1CDK9ALDH1A1MAPT | |
| SCHEMBL30175534 | 0.83 | CCNT1 (0.37) | EGFRCCNT1CDK9ALDH1A1MAPT | |
| SCHEMBL17670296 | 0.80 | EGFR (0.37) | EGFRKDRALDH1A1KDM4ECYP3A4 | |
| SCHEMBL31030279 | 0.80 | EGFR (0.37) | EGFRKDRALDH1A1KDM4ECYP3A4 | |
| SCHEMBL19337104 | 0.80 | EGFR (0.54) | EGFRKDRCCNT1CDK9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115701429-B | 4- (1H-indol-1-yl) pyrimidine-2-amino derivative, and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-115701429-A | 4- (1H-indole-1-yl) pyrimidine-2-amino derivative and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-02-10 | — | — | CN | disclosed |