SCHEMBL31672385

SCHEMBL31672385

C=CC(=O)N1CC(N2CCN(C(=O)CNc3cc(Cl)c(Cl)cc3Cl)CC2)C1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 15/20 0.84
▸ OPRK1 P41145 1/20 0.37
▸ SHMT2 P34897 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ GAA P10253 1/20 0.34

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
SCHEMBL16117848 1.00 KRAS (0.84) KRASOPRK1SHMT2HRH3GAA
SCHEMBL16117849 0.92 KRAS (0.79) KRAS
SCHEMBL31672348 0.92 KRAS (0.79) KRAS
SCHEMBL16103039 0.91 KRAS (1.00) KRASOPRK1
SCHEMBL31672334 0.91 KRAS (1.00) KRASOPRK1
SCHEMBL16117852 0.90 KRAS (0.79) KRASOPRK1SHMT2GAA
SCHEMBL16122845 0.89 KRAS (0.77) KRASOPRK1SHMT2HRH3GAA
SCHEMBL20515169 0.89 KRAS (0.77) KRASOPRK1SHMT2
SCHEMBL16117831 0.89 KRAS (0.67) KRASSHMT2GAA
SCHEMBL16117836 0.89 KRAS (0.67) 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
Send feedback