Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | GSK3B | P49841 | 3/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 3/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 3/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | WNT1 | P04628 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2923179 | 0.87 | TDO2 (0.39) | PDE10AGSK3BCDK2CDC7DBF4 | |
| SCHEMBL2922754 | 0.81 | ADORA1 (0.39) | PDE10AGSK3BCDK2CDC7DBF4 | |
| SCHEMBL2927723 | 0.81 | CA12 (0.30) | CA12CA1CA2CA9PDK1 | |
| SCHEMBL2870401 | 0.79 | BTK (0.33) | CA12CA1CA2CA9PDK1 | |
| SCHEMBL29809458 | 0.78 | PDE10A (0.48) | PDE10AGSK3BCDK2CDC7DBF4 | |
| SCHEMBL594142 | 0.75 | CA12 (0.30) | CA12CA1CA2CA9PDK1 | |
| SCHEMBL2919757 | 0.74 | BTK (0.32) | FGFR1 | |
| SCHEMBL13829027 | 0.73 | MAPK14 (0.40) | MAPK14MAPK11PDK1PDK2PDK3 | |
| SCHEMBL3963838 | 0.73 | PIK3CD (0.41) | CA1CA2CA9 | |
| SCHEMBL394127 | 0.72 | LIMK1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101563342-B | Imidazolidinonyl aminopyrimidine compounds for the treatment' of cancer | LILLY CO ELI | 2012-09-05 | — | — | CN | disclosed |
| EP-2125793-B1 | IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER | LILLY CO ELI (US) | 2010-09-01 | — | — | EP | disclosed |
| CN-101563342-A | Imidazolidinonyl aminopyrimidine compounds for the treatment' of cancer | LILLY CO ELI (US) | 2009-10-21 | — | — | CN | disclosed |