Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 10/20 | 0.74 |
| ▸ | CCNB2 | O95067 | 9/20 | 0.74 |
| ▸ | CCNB1 | P14635 | 9/20 | 0.74 |
| ▸ | CCNB3 | Q8WWL7 | 9/20 | 0.74 |
| ▸ | EIF2AK2 | P19525 | 3/20 | 0.73 |
| ▸ | CDK2 | P24941 | 3/20 | 0.73 |
| ▸ | CDK4 | P11802 | 2/20 | 0.73 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.73 |
| ▸ | CCND1 | P24385 | 2/20 | 0.73 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.73 |
| ▸ | KDR | P35968 | 2/20 | 0.73 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.73 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.73 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.73 |
| ▸ | CLK1 | P49759 | 2/20 | 0.73 |
| ▸ | CLK3 | P49761 | 2/20 | 0.73 |
| ▸ | GSK3A | P49840 | 2/20 | 0.73 |
| ▸ | GSK3B | P49841 | 2/20 | 0.73 |
| ▸ | CDK7 | P50613 | 2/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL1394721 | 0.84 | CCNB2 (1.00) | CDK1CCNB2CCNB1CCNB3EIF2AK2 | |
| SCHEMBL5725848 | 0.82 | CDK1 (0.78) | CDK1CCNB2CCNB1CCNB3EIF2AK2 | |
| SCHEMBL5964695 | 0.74 | CCNB2 (1.00) | CDK1CCNB2CCNB1CCNB3EIF2AK2 | |
| SCHEMBL5139172 | 0.73 | CCNB2 (0.78) | CDK1CCNB2CCNB1CCNB3EIF2AK2 | |
| SCHEMBL5728888 | 0.71 | CDK1 (1.00) | CDK1CCNB2CCNB1CCNB3EIF2AK2 | |
| SCHEMBL673110 | 0.68 | CA2 (1.00) | CA12CA1CA2CA9 | |
| Jnj-7706621 SCHEMBL1060773 | 0.68 | CDK1 (1.00) | CDK1CCNB2CCNB1CCNB3EIF2AK2 | |
| SCHEMBL5964858 | 0.67 | JAK1 (0.67) | CDK1CCNB2CCNB1CCNB3EIF2AK2 | |
| SCHEMBL5725974 | 0.67 | CDK1 (0.78) | CDK1CCNB2CCNB1CCNB3EIF2AK2 | |
| SCHEMBL5726338 | 0.66 | CDK1 (0.73) | CDK1CCNB2CCNB1CCNB3EIF2AK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1712550-A2 | Substituted triazole diamine derivatives as kinase inhibitors | Ortho-McNeil Pharmaceutical, Inc. (US) | 2006-10-18 | — | — | EP | disclosed |
| EP-1355889-A1 | SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002057240-A1 | SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS | ORTHO MC NEIL PHARMACEUTICAL, INC. (US) | 2002-07-25 | — | — | WO | disclosed |