SCHEMBL30867870

SCHEMBL30867870

CC(C)(C)OC(=O)N1CCN(c2c(Br)cnn2C2COC2)C2CC21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ UCHL1 P09936 2/20 0.33
▸ USP30 Q70CQ3 4/20 0.33
▸ AR P10275 1/20 0.33
▸ NR1H3 Q13133 3/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ NTRK1 P04629 1/20 0.31

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
SCHEMBL30867869 0.90 HDAC1 (0.34) NR1H2HDAC1NR1H3GPR119HSD11B1
SCHEMBL30867873 0.89 HDAC1 (0.39) NR1H2HDAC1USP30ARNR1H3
SCHEMBL30867686 0.85 HSD11B1 (0.35) HDAC1GPR119HSD11B1
SCHEMBL30911135 0.81 GPR119 (0.46) USP30GPR119PIK3CA
SCHEMBL30911167 0.81 GPR119 (0.46) USP30GPR119PIK3CA
SCHEMBL30867805 0.81 NR1H2 (0.33) NR1H2HDAC1USP30ARNR1H3
SCHEMBL30172436 0.75 NTRK1 (0.44) NTRK1
SCHEMBL38653141 0.75 HDAC1 (0.41) NR1H2HDAC1UCHL1GPR119PIK3CA
SCHEMBL38653820 0.74 ACACB (0.36) GPR119
SCHEMBL30867765 0.71 GPR119 (0.51) GPR119PIK3CA

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
EP-4598917-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2025-08-13 — — EP disclosed
WO-2024076674-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 — — WO disclosed
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