SCHEMBL30642306

SCHEMBL30642306

CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)CNc3cc(Cl)c(Cl)cc3O)CC2)C1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 3/20 0.68
▸ FNTA P49354 3/20 0.38
▸ FNTB P49356 3/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ STS P08842 4/20 0.37
▸ SHMT2 P34897 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ TERT O14746 1/20 0.36
▸ MAPK8 P45983 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
SCHEMBL16129263 1.00 KRAS (0.68) KRASFNTAFNTBUSP30STS
SCHEMBL20260100 0.89 KRAS (0.55) KRASFNTAFNTBUSP30STS
SCHEMBL21458760 0.89 KRAS (0.74) KRASFNTAFNTBUSP30STS
SCHEMBL16098539 0.84 KRAS (0.78) KRASSHMT2
SCHEMBL16098252 0.84 KRAS (0.48) KRASFNTAFNTBSTSSHMT2
SCHEMBL30642275 0.84 KRAS (0.48) KRASSTSSHMT2MEN1KMT2A
SCHEMBL16098954 0.84 KRAS (0.48) KRASSTSSHMT2MEN1KMT2A
SCHEMBL16122856 0.83 KRAS (0.76) KRASSHMT2
SCHEMBL16093602 0.82 KRAS (0.46) KRASSTSSHMT2
SCHEMBL16102313 0.82 KRAS (0.46) KRASSTSSHMT2

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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