SCHEMBL31672346

SCHEMBL31672346

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 12/20 0.72
▸ ERBB2 P04626 2/20 0.38
▸ FGFR1 P11362 2/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ SHMT2 P34897 1/20 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
SCHEMBL16117839 1.00 KRAS (0.72) KRASERBB2FGFR1FGFR4EGLN1
SCHEMBL31672331 0.93 KRAS (0.83) KRAS
SCHEMBL16100289 0.93 KRAS (0.83) KRAS
SCHEMBL16117744 0.91 KRAS (0.86) KRASERBB2EGLN1SHMT2SCD
SCHEMBL31672361 0.90 KRAS (0.74) KRASERBB2EGLN1SHMT2
SCHEMBL16117835 0.90 KRAS (0.74) KRASERBB2EGLN1SHMT2
SCHEMBL16102399 0.90 KRAS (0.83) KRASERBB2SHMT2
SCHEMBL16122678 0.89 KRAS (0.57) KRASERBB2FGFR1FGFR4FGFR2
SCHEMBL20240049 0.88 KRAS (0.74) KRASERBB2SHMT2SCD
SCHEMBL30642292 0.88 KRAS (0.76) KRASERBB2EGLN1SCD

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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