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 | 12/20 | 0.52 |
| ▸ | ABL1 known ✓ | P00519 | 2/20 | 0.52 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 5/20 | 0.52 |
| ▸ | PRKCA | P17252 | 1/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 4/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8581003 | 1.00 | EGFR (0.52) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL8653898 | 0.92 | HTR7 (0.45) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL8581825 | 0.89 | EGFR (0.49) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL8579768 | 0.89 | EGFR (0.49) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL8577052 | 0.87 | HTR7 (0.49) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL8578261 | 0.87 | HTR7 (0.49) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL8577050 | 0.87 | HTR7 (0.49) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL8580389 | 0.86 | EGFR (0.55) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL8580393 | 0.86 | EGFR (0.55) | EGFRCDK1ABL1PRKCASRC | |
| SCHEMBL8581912 | 0.84 | EGFR (0.51) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998014449-A1 | FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1998-04-09 | — | — | WO | disclosed |