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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 19/20 | 0.63 |
| ▸ | ABL1 known ✓ | P00519 | 9/20 | 0.63 |
| ▸ | PDGFRB known ✓ | P09619 | 3/20 | 0.44 |
| ▸ | CDK1 | P06493 | 9/20 | 0.63 |
| ▸ | PRKCA | P17252 | 7/20 | 0.63 |
| ▸ | SRC | P12931 | 7/20 | 0.61 |
| ▸ | ABL2 | P42684 | 2/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8577275 | 0.90 | EGFR (0.63) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL6186563 | 0.90 | EGFR (0.70) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL8122065 | 0.88 | EGFR (0.66) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL8581909 | 0.88 | EGFR (0.60) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL6186191 | 0.87 | EGFR (0.67) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL6189215 | 0.87 | EGFR (0.64) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL8117209 | 0.86 | EGFR (0.68) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL6185849 | 0.86 | EGFR (0.60) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL6190120 | 0.86 | EGFR (0.62) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL6184979 | 0.86 | EGFR (0.62) | EGFRCDK1ABL1PRKCASRC |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0929553-B1 | PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | NOVARTIS AG (CH) | 2005-03-16 | — | — | EP | disclosed |
| US-6251911-B1 | Pyrimidine derivatives and processes for the preparation thereof | NOVARTIS AG (CH) | 2001-06-26 | — | — | US | disclosed |
| EP-0929553-A1 | PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | Novartis AG (CH) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998014450-A1 | PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | NOVARTIS AG (CH) | 1998-04-09 | — | — | WO | disclosed |