Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 20/20 | 0.81 |
| ▸ | BCR | P11274 | 14/20 | 0.81 |
| ▸ | LYN | P07948 | 8/20 | 0.81 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.71 |
| ▸ | LCK | P06239 | 2/20 | 0.71 |
| ▸ | FYN | P06241 | 2/20 | 0.71 |
| ▸ | BRAF | P15056 | 2/20 | 0.71 |
| ▸ | NQO2 | P16083 | 2/20 | 0.71 |
| ▸ | ABL2 | P42684 | 2/20 | 0.71 |
| ▸ | FRK | P42685 | 2/20 | 0.71 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.71 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.71 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.71 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.71 |
| ▸ | DDR2 | Q16832 | 2/20 | 0.71 |
| ▸ | PIP4K2C | Q8TBX8 | 2/20 | 0.71 |
| ▸ | MAP3K20 | Q9NYL2 | 2/20 | 0.71 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.71 |
| ▸ | RET | P07949 | 1/20 | 0.71 |
| ▸ | ARAF | P10398 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL3566953 | 0.95 | ABL1 (0.90) | ABL1BCRLYNPDGFRBLCK | |
| Hydrochloric Acid SCHEMBL3569831 | 0.94 | ABL1 (0.88) | ABL1BCRLYNPDGFRBLCK | |
| SCHEMBL3561413 | 0.90 | ABL1 (1.00) | ABL1BCRLYNPDGFRBLCK | |
| Hydrochloric Acid SCHEMBL3565463 | 0.89 | ABL1 (0.99) | ABL1BCRLYNPDGFRBLCK | |
| SCHEMBL3561756 | 0.88 | ABL1 (0.90) | ABL1BCRLYNPDGFRBLCK | |
| SCHEMBL3562382 | 0.88 | ABL1 (0.90) | ABL1BCRLYNPDGFRBLCK | |
| Hydrochloric Acid SCHEMBL3558323 | 0.88 | ABL1 (0.89) | ABL1BCRLYNPDGFRBLCK | |
| Hydrochloric Acid SCHEMBL3661321 | 0.88 | ABL1 (0.89) | ABL1BCRLYNPDGFRBLCK | |
| SCHEMBL3560129 | 0.88 | ABL1 (0.86) | ABL1BCRLYNPDGFRBLCK | |
| SCHEMBL3564696 | 0.87 | ABL1 (0.76) | ABL1BCRLYNPDGFRBLCK |
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 |
|---|---|---|---|---|---|---|---|
| US-7728131-B2 | 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia | NIPPON SHINYAKU CO., LTD. (JP) | 2010-06-01 | — | — | US | claimed |