SCHEMBL30574276

SCHEMBL30574276

O=C(O)c1cc(F)c(I)c(Cl)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
MAP2K1 Q02750 2/20 0.39
CYP3A4 P08684 1/20 0.36
MAP2K2 P36507 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
ACLY P53396 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DAO P14920 1/20 0.34
AKR1C2 P52895 2/20 0.33
AKR1C1 Q04828 2/20 0.33
ALB P02768 1/20 0.33
TPMT P51580 1/20 0.33
CA1 P00915 1/20 0.33

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL26105927 1.00 KEAP1 (0.47) KEAP1NFE2L2MAP2K1CYP3A4MAP2K2
SCHEMBL29715184 0.85 MAP2K1 (0.39) KEAP1NFE2L2MAP2K1CYP3A4KDM4E
SCHEMBL23496860 0.85 MAP2K1 (0.39) KEAP1NFE2L2MAP2K1CYP3A4KDM4E
SCHEMBL29376622 0.82 KEAP1 (0.52) KEAP1NFE2L2MAP2K1CYP3A4KDM4E
SCHEMBL2434231 0.82 KEAP1 (0.52) KEAP1NFE2L2MAP2K1CYP3A4KDM4E
Hydrochloric Acid SCHEMBL10563667 0.80 KEAP1 (0.50) KEAP1NFE2L2MAP2K1CYP3A4KDM4E
SCHEMBL26108862 0.79 SOS1 (0.46) KDM4EALDH1A1SMN1; SMN2CA1CA2
SCHEMBL30574277 0.79 SOS1 (0.46) KDM4EALDH1A1SMN1; SMN2CA1CA2
SCHEMBL7596205 0.78 KEAP1 (0.48) KEAP1NFE2L2MAP2K1CYP3A4KDM4E
SCHEMBL12931099 0.78 KEAP1 (0.40) KEAP1NFE2L2MAP2K1CYP3A4MAP2K2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029168-A Methods for preparing KRAS G12C inhibitors 伊莱利利公司 2026-05-12 CN disclosed
WO-2025080631-A1 PROCESS FOR MAKING A KRAS G12C INHIBITOR ELI LILLY AND COMPANY (US) 2025-04-17 WO disclosed
CN-119546309-A Methods of treatment comprising KRAS G12C inhibitors and AURORA a inhibitors 伊莱利利公司 2025-02-28 CN disclosed
EP-4504710-A1 PROCESS FOR MAKING A KRAS G12C INHIBITOR Eli Lilly and Company (US) 2025-02-12 EP disclosed
EP-4504209-A1 METHOD OF TREATMENT INCLUDING KRAS G12C INHIBITORS AND AURORA A INHIBITORS Eli Lilly and Company (US) 2025-02-12 EP disclosed
CN-119343334-A Methods of making KRAS G12C inhibitors 伊莱利利公司 2025-01-21 CN disclosed
WO-2023196887-A1 METHOD OF TREATMENT INCLUDING KRAS G12C INHIBITORS AND AURORA A INHIBITORS ELI LILLY AND COMPANY (US) 2023-10-12 WO disclosed
WO-2023196959-A1 PROCESS FOR MAKING A KRAS G12C INHIBITOR ELI LILLY AND COMPANY (US) 2023-10-12 WO disclosed