Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 10/20 | 0.51 |
| ▸ | KDR | P35968 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | MARK3 | P27448 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.44 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.44 |
| ▸ | MELK | Q14680 | 1/20 | 0.44 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.44 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.44 |
| ▸ | BRSK1 | Q8TDC3 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6996617 | 0.93 | KDR (0.54) | CHEK1KDRHPGDNEK1PARP1 | |
| SCHEMBL6999491 | 0.89 | KDR (0.55) | CHEK1KDRHPGDAURKBKMT2A | |
| SCHEMBL7162844 | 0.79 | CHEK1 (0.63) | CHEK1KDRMAP4K4RETPHKG2 | |
| SCHEMBL7094673 | 0.79 | CD274 (0.59) | CHEK1KDRHPGD | |
| Water SCHEMBL7695501 | 0.78 | CD274 (0.58) | CHEK1KDRHPGD | |
| SCHEMBL6998333 | 0.78 | KDR (0.61) | CHEK1KDR | |
| SCHEMBL7095965 | 0.77 | CHEK1 (0.65) | CHEK1KDRMAP4K4RETPHKG2 | |
| Hydrochloric Acid SCHEMBL7000116 | 0.77 | KDR (0.60) | CHEK1KDR | |
| SCHEMBL7701720 | 0.76 | CHEK1 (0.54) | CHEK1KDR | |
| SCHEMBL7093655 | 0.76 | CHEK1 (0.55) | CHEK1KDRHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268437-A1 | INHIBITORS OF PROTEIN KINASES | Knoll GmbH (DE) | 2003-01-02 | — | — | EP | claimed |
| JP-2002541150-A | — | — | 2002-12-03 | — | — | JP | claimed |
| WO-2002030908-A1 | INHIBITORS OF PROTEIN KINASES | KNOLL GMBH (DE) | 2002-04-18 | — | — | WO | claimed |
| EP-1165544-A1 | SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-02 | — | — | EP | claimed |
| WO-2000059901-A1 | SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE | KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2000-10-12 | — | — | WO | claimed |