Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 12/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 3/20 | 0.41 |
| ▸ | CDK4 | P11802 | 2/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21414366 | 0.87 | CXCR4 (0.45) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL20203429 | 0.87 | CXCR4 (0.47) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL21414378 | 0.86 | ALDH1A1 (0.49) | MEN1KMT2ACCND1CDK4CDK6 | |
| SCHEMBL21414385 | 0.84 | LMNA (0.46) | MEN1KMT2AHRH3 | |
| SCHEMBL21267716 | 0.83 | CXCR4 (0.36) | CXCR4CCND1CDK4CDK6 | |
| SCHEMBL18291648 | 0.82 | CXCR4 (0.57) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL21414381 | 0.82 | HRH3 (0.47) | MEN1CHRM1KMT2AHRH3 | |
| SCHEMBL21414349 | 0.81 | ALDH1A1 (0.50) | MEN1KMT2AHRH3 | |
| SCHEMBL21414345 | 0.81 | KMT2A (0.41) | MEN1CHRM2KMT2AHRH3 | |
| SCHEMBL21414453 | 0.78 | CHEK1 (0.41) | MEN1KMT2AHRH3 |
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 |