Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.62 |
| ▸ | FYN | P06241 | 1/20 | 0.61 |
| ▸ | KDR | P35968 | 10/20 | 0.57 |
| ▸ | PLK1 | P53350 | 7/20 | 0.53 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | IGF1R | P08069 | 1/20 | 0.48 |
| ▸ | INSR | P06213 | 1/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6994864 | 0.89 | KDR (0.63) | IKBKBFYNKDRPLK1CDK5 | |
| SCHEMBL17560349 | 0.88 | IKBKB (0.59) | IKBKBFYNKDRPLK1CDK5 | |
| SCHEMBL17560321 | 0.85 | KDR (0.64) | IKBKBFYNKDRPLK1CDK5 | |
| SCHEMBL3522231 | 0.85 | IKBKB (0.86) | IKBKBFYNKDRPLK1CA12 | |
| Hydrochloric Acid SCHEMBL7240389 | 0.84 | IKBKB (0.60) | IKBKBFYNKDRPLK1EGFR | |
| SCHEMBL7237418 | 0.83 | FYN (0.65) | IKBKBFYNKDRPLK1IGF1R | |
| SCHEMBL7232068 | 0.83 | FYN (0.79) | IKBKBFYNKDRPLK1CDK5 | |
| SCHEMBL6998752 | 0.83 | IKBKB (0.58) | IKBKBFYNKDRPLK1CA12 | |
| SCHEMBL6992464 | 0.83 | KDR (0.65) | IKBKBFYNKDRPLK1CA12 | |
| Hydrochloric Acid SCHEMBL7517322 | 0.82 | IKBKB (0.80) | IKBKBFYNKDRPLK1CDK5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6599908-B1 | Potent and selective inhibitors of the protein tyrosine kinases p56lck and p59fyn | CELLTECH R & D LIMITED (GB) | 2003-07-29 | — | — | US | disclosed |
| US-6057329-A | Fused polycyclic 2-aminopyrimidine derivatives | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-05-02 | — | — | US | disclosed |
| EP-0946523-A1 | FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028281-A1 | FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 1998-07-02 | — | — | WO | disclosed |