Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 19/20 | 0.61 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.59 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.59 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.59 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.59 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.59 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.59 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.59 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.59 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.59 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.59 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.59 |
| ▸ | MLNR | O43193 | 1/20 | 0.59 |
| ▸ | KDM1A | O60341 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.59 |
| ▸ | INSR | P06213 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | NQO2 | P16083 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL28453835 | 0.97 | EGFR (0.63) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL26638151 | 0.89 | EGFR (0.76) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL19947445 | 0.86 | EGFR (0.79) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL28452954 | 0.86 | EGFR (0.69) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL28898332 | 0.86 | EGFR (0.65) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL28453528 | 0.86 | EGFR (0.65) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL31486391 | 0.85 | EGFR (0.80) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL28459731 | 0.83 | EGFR (0.61) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL28517747 | 0.82 | MKNK1 (0.63) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL31486523 | 0.82 | EGFR (0.84) | EGFRMLNRKDM1AABCB11ERBB2 |
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-111617083-B | Application of methoxy substituted phenylamide aminopyrimidine derivative | 上海医药工业研究院 | 2023-10-27 | — | — | CN | disclosed |
| CN-111617083-A | Application of methoxy-substituted phenylamide aminopyrimidine derivative | 上海医药工业研究院 | 2020-09-04 | — | — | CN | disclosed |
| CN-111620854-A | 4-aminopyrimidine substituted phenylamide compound and preparation method thereof | 上海医药工业研究院 | 2020-09-04 | — | — | CN | disclosed |