SCHEMBL31672345

SCHEMBL31672345

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

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 6/20 0.67
▸ SHMT2 P34897 1/20 0.47
▸ GAA P10253 1/20 0.45
▸ EGFR P00533 5/20 0.38
▸ ERBB2 P04626 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ JAK3 P52333 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ FGFR1 P11362 1/20 0.36
▸ FGFR4 P22455 1/20 0.36

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
SCHEMBL16117831 1.00 KRAS (0.67) KRASSHMT2GAAEGFRERBB2
SCHEMBL21302149 0.92 KRAS (0.80) KRASSHMT2GAAEGFRERBB2
SCHEMBL17833941 0.92 KRAS (0.56) KRASSHMT2GAAEGFRERBB2
SCHEMBL16122631 0.90 KRAS (0.76) KRASSHMT2GAAEGFRERBB2
SCHEMBL16122360 0.90 KRAS (0.57) KRASGAAEGFRERBB2KMT2A
SCHEMBL31672385 0.89 KRAS (0.84) KRASSHMT2GAA
SCHEMBL16117848 0.89 KRAS (0.84) KRASSHMT2GAA
SCHEMBL16122814 0.88 KRAS (0.50) KRASGAAEGFRERBB2KMT2A
SCHEMBL22550951 0.87 KRAS (0.66) KRASSHMT2GAAKMT2AKDM4E
SCHEMBL16122893 0.87 KRAS (0.65) KRASSHMT2GAAEGFRERBB2

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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