SCHEMBL31672393

SCHEMBL31672393

C=CC(=O)N1CCN(C2CCN(C(=O)CNc3cc(Cl)c(Cl)cc3O)C2)CC1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 14/20 0.83
▸ CDK14 O94921 1/20 0.38
▸ CCNY Q8ND76 1/20 0.38
▸ SHMT2 P34897 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.36
▸ SCD O00767 1/20 0.35
▸ ERBB2 P04626 1/20 0.35

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
SCHEMBL16117832 1.00 KRAS (0.83) KRASCDK14CCNYSHMT2EGLN1
SCHEMBL16117744 0.96 KRAS (0.86) KRASCDK14CCNYSHMT2EGLN1
SCHEMBL16117714 0.93 KRAS (0.92) KRASSHMT2
SCHEMBL16103039 0.91 KRAS (1.00) KRASEGLN1
SCHEMBL31672334 0.91 KRAS (1.00) KRASEGLN1
SCHEMBL16122667 0.90 KRAS (0.83) KRASCDK14CCNYSHMT2ERBB2
SCHEMBL30642292 0.88 KRAS (0.76) KRASCDK14CCNYEGLN1SCD
SCHEMBL16117835 0.88 KRAS (0.74) KRASSHMT2EGLN1ERBB2
SCHEMBL31672361 0.88 KRAS (0.74) KRASSHMT2EGLN1ERBB2
SCHEMBL16117838 0.88 KRAS (0.76) KRASCDK14CCNYEGLN1SCD

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