Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 3/20 | 0.42 |
| ▸ | CCND1 | P24385 | 3/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.42 |
| ▸ | CDK2 | P24941 | 3/20 | 0.42 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27145118 | 0.77 | NPC1 (0.49) | MAPK13MAPK12MAPK11MAPK14CDK4 | |
| SCHEMBL27148413 | 0.73 | IGF1R (0.49) | CDK4CCND1CCNA2CDK2CDK1 | |
| SCHEMBL2819228 | 0.71 | CDK4 (0.54) | CDK4CCND1CCNA2CDK2CDK1 | |
| SCHEMBL29557417 | 0.70 | ABL1 (0.72) | CDK4CCND1CCNA2CDK2CDK1 | |
| SCHEMBL434285 | 0.68 | TBK1 (0.58) | MAPK13MAPK12MAPK11MAPK14CCNA2 | |
| SCHEMBL2321728 | 0.65 | CDK4 (0.52) | MAPK13MAPK12MAPK11MAPK14CDK4 | |
| SCHEMBL29386286 | 0.65 | CDK4 (0.49) | MAPK13MAPK12MAPK11MAPK14CDK4 | |
| SCHEMBL20455525 | 0.65 | CDK4 (0.49) | MAPK13MAPK12MAPK11MAPK14CDK4 | |
| SCHEMBL3951276 | 0.65 | MEN1 (0.67) | KDRNPC1MEN1KMT2AGAA | |
| SCHEMBL29544002 | 0.65 | MEN1 (0.67) | KDRNPC1MEN1KMT2AGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3385262-B1 | 4-(3H-INDOL-5-YL)-N-(PYRIDIN-2-YL)PYRIMIDIN-2-AMINE DERIVATIVES AS PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF | GAN & LEE PHARMACEUTICALS (CN) | 2022-07-13 | — | — | EP | disclosed |