SCHEMBL30642292

SCHEMBL30642292

C=CC(=O)N1CCC(N2CCN(C(=O)CNc3cc(I)c(Cl)cc3O)CC2)C1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 12/20 0.76
▸ CDK14 O94921 3/20 0.36
▸ CCNY Q8ND76 3/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ ERBB2 P04626 2/20 0.35
▸ SCD O00767 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
SCHEMBL16117838 1.00 KRAS (0.76) KRASCDK14CCNYEGLN1ERBB2
SCHEMBL16117744 0.92 KRAS (0.86) KRASCDK14CCNYEGLN1ERBB2
SCHEMBL31672361 0.89 KRAS (0.74) KRASEGLN1ERBB2
SCHEMBL16117835 0.89 KRAS (0.74) KRASEGLN1ERBB2
SCHEMBL16117832 0.88 KRAS (0.83) KRASCDK14CCNYEGLN1ERBB2
SCHEMBL31672393 0.88 KRAS (0.83) KRASCDK14CCNYEGLN1ERBB2
SCHEMBL16122355 0.88 KRAS (0.58) KRASERBB2
SCHEMBL16117839 0.88 KRAS (0.72) KRASEGLN1ERBB2SCD
SCHEMBL31672346 0.88 KRAS (0.72) KRASEGLN1ERBB2SCD
SCHEMBL15337917 0.87 KRAS (1.00) 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 2 patents. 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
EP-3401314-B1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-11-08 — — EP disclosed
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