Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 12/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | CCR2 | P41597 | 1/20 | 0.45 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21414369 | 0.87 | CXCR4 (0.44) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL20203429 | 0.85 | CXCR4 (0.47) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL22876978 | 0.81 | ALDH1A1 (0.51) | MEN1KMT2AHRH3ESR1ESR2 | |
| SCHEMBL18291648 | 0.81 | CXCR4 (0.57) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL21414343 | 0.78 | CXCR4 (0.49) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL14307263 | 0.77 | CXCR4 (0.53) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL18713092 | 0.75 | HRH3 (0.51) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL23586795 | 0.74 | CXCR4 (0.51) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL3321207 | 0.74 | CXCR4 (0.51) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL18291020 | 0.74 | CXCR4 (0.51) | CXCR4MEN1CHRM2CHRM1ADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-3546458-B1 | ((PYRIDIN-2-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE AND ((PYRIDAZIN-3-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES AS CDK4/6 INHIBITORS FOR TREATING E.G. RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, PULMONARY FIBROSIS, CEREBRAL INFARCTION OR CANCER | TEIJIN PHARMA LTD (JP) | 2021-01-06 | — | — | EP | disclosed |
| EP-3546458-A1 | PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2019-10-02 | — | — | EP | disclosed |