SCHEMBL31672359

SCHEMBL31672359

C=CC(=O)N1CC(N2CCN(C(=O)Cn3ccc4ccccc43)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 14/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CXCR3 P49682 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ ABCB1 P08183 1/20 0.40

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
SCHEMBL16117855 1.00 KRAS (0.46) KRASHRH3KMT2ACXCR3KDM4E
SCHEMBL16117856 0.84 KRAS (0.65) KRASCXCR3
SCHEMBL17807925 0.81 KRAS (0.56) KRAS
SCHEMBL22035718 0.77 KRAS (0.73) KRAS
SCHEMBL12605568 0.76 KMT2A (0.56) KMT2ACXCR3KDM4E
SCHEMBL30642308 0.74 KMT2A (0.55) KRASKMT2AKDM4E
SCHEMBL16117850 0.74 KMT2A (0.55) KRASKMT2AKDM4E
SCHEMBL12605547 0.73 GRIN2B (0.57) KMT2AKDM4E
SCHEMBL16897887 0.72 KMT2A (0.52) HRH3KMT2ACXCR3KDM4EOPRD1
SCHEMBL16897931 0.72 KMT2A (0.52) KMT2ACXCR3KDM4E

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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