Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 8/20 | 0.34 |
| ▸ | KDR known ✓ | P35968 | 3/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | PRMT7 | Q9NVM4 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20162197 | 1.00 | MKNK1 (0.40) | MKNK1MKNK2EGFRRAB9AKDR | |
| SCHEMBL18387048 | 0.91 | MKNK1 (0.47) | MKNK1MKNK2EGFRKDRCCNT1 | |
| SCHEMBL30010747 | 0.87 | EGFR (0.36) | MKNK1EGFRKDRALDH1A1JAK2 | |
| SCHEMBL20162208 | 0.87 | EGFR (0.36) | MKNK1EGFRKDRALDH1A1JAK2 | |
| SCHEMBL20162198 | 0.86 | OPRK1 (0.36) | MKNK1EGFRKDRJAK2JAK1 | |
| SCHEMBL30011674 | 0.86 | OPRK1 (0.36) | MKNK1EGFRKDRJAK2JAK1 | |
| SCHEMBL20395919 | 0.84 | CFTR (0.35) | EGFRKDRALDH1A1SMN1; SMN2P2RX3 | |
| SCHEMBL20162222 | 0.82 | KDR (0.36) | MKNK1EGFRKDRJAK2JAK1 | |
| SCHEMBL30010761 | 0.82 | KDR (0.36) | MKNK1EGFRKDRJAK2JAK1 | |
| SCHEMBL20162213 | 0.82 | EGFR (0.38) | MKNK1EGFRKDRALDH1A1SMN1; SMN2 |
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-3323817-B1 | ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2022-10-19 | — | — | EP | disclosed |