SCHEMBL31672374

SCHEMBL31672374

C=CC(=O)N1CC(N2CCN(C(=O)CNc3cc(C4CCC4)c(Cl)cc3O)CC2)C1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 15/20 0.79
▸ EGLN1 Q9GZT9 1/20 0.35
▸ SCD O00767 1/20 0.33
▸ SHMT2 P34897 1/20 0.33
▸ HRH3 Q9Y5N1 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
SCHEMBL16101851 1.00 KRAS (0.79) KRASEGLN1SCDSHMT2HRH3
SCHEMBL30104237 0.96 KRAS (0.81) KRASEGLN1SCD
SCHEMBL16117862 0.96 KRAS (0.81) KRASEGLN1SCD
SCHEMBL16122416 0.88 KRAS (0.61) KRASSHMT2
SCHEMBL16103039 0.88 KRAS (1.00) KRASEGLN1
SCHEMBL31672334 0.88 KRAS (1.00) KRASEGLN1
SCHEMBL31672354 0.86 KRAS (0.77) KRASEGLN1
SCHEMBL16099895 0.86 KRAS (0.77) KRASEGLN1
SCHEMBL16117858 0.85 KRAS (0.85) KRAS
SCHEMBL31672380 0.85 KRAS (0.85) KRAS

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50527-E1 Covalent inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-08-12 — — US disclosed
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