Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 13/20 | 0.41 |
| ▸ | CDK4 | P11802 | 3/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CDK7 | P50613 | 2/20 | 0.37 |
| ▸ | CDK9 | P50750 | 2/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23733485 | 0.88 | KDR (0.48) | KDRCDK4CDK2CDK6CDK1 | |
| SCHEMBL21414488 | 0.88 | KDR (0.36) | KDRCDK4CDK2CDK6CDK1 | |
| SCHEMBL21414422 | 0.87 | KDR (0.40) | KDRCDK4CDK2CDK6CDK1 | |
| SCHEMBL21414440 | 0.84 | KDR (0.42) | KDRCDK4CDK2CDK6CDK1 | |
| SCHEMBL20203607 | 0.84 | KDR (0.39) | KDRCDK4CDK2CDK6CDK1 | |
| SCHEMBL23733486 | 0.83 | KDR (0.42) | KDRCDK4CDK2CDK6CDK1 | |
| SCHEMBL23733481 | 0.81 | KDR (0.47) | KDRCDK4CDK2CDK6CDK1 | |
| SCHEMBL23733455 | 0.81 | ALDH1A1 (0.38) | KDRCDK4CDK2CDK6CDK1 | |
| SCHEMBL21414420 | 0.81 | CDK4 (0.38) | KDRCDK4CDK2CDK6CDK1 | |
| SCHEMBL23733456 | 0.81 | KDM4E (0.43) | KDRCDK4CDK2CDK6CDK1 |
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-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 |