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 | 0.86 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.80 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.80 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.80 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.80 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.80 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.80 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.80 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.80 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.80 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.80 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.80 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.80 |
| ▸ | MLNR | O43193 | 1/20 | 0.80 |
| ▸ | KDM1A | O60341 | 1/20 | 0.80 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.80 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.80 |
| ▸ | INSR | P06213 | 1/20 | 0.80 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.80 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.80 |
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 | |
|---|---|---|---|---|
| SCHEMBL28409356 | 0.97 | EGFR (0.91) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL17683310 | 0.93 | EGFR (1.00) | EGFRKCNH2MLNRKDM1AABCB11 | |
| Befotertinib SCHEMBL30354045 | 0.92 | EGFR (0.82) | EGFRKCNH2MLNRKDM1AABCB11 | |
| Osimertinib SCHEMBL29375936 | 0.92 | EGFR (0.95) | EGFRKCNH2MLNRKDM1AABCB11 | |
| Osimertinib SCHEMBL29353024 | 0.92 | EGFR (0.95) | EGFRKCNH2MLNRKDM1AABCB11 | |
| Osimertinib SCHEMBL14661152 | 0.92 | EGFR (0.95) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL17553471 | 0.92 | EGFR (1.00) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL17553693 | 0.92 | EGFR (0.91) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL28412579 | 0.92 | EGFR (0.91) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL19337034 | 0.91 | EGFR (0.89) | EGFRKCNH2MLNRKDM1AABCB11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111303123-B | 2- (2,4, 5-substituted anilino) pyrimidine compound and application thereof | 南京雷正医药科技有限公司 | 2021-08-31 | — | — | CN | disclosed |
| CN-111303123-A | 2- (2,4, 5-substituted anilino) pyrimidine compound and application thereof | 南京雷正医药科技有限公司 | 2020-06-19 | — | — | CN | disclosed |