SCHEMBL30867873

SCHEMBL30867873

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.39
▸ PIK3CA P42336 9/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ PIK3R1 P27986 8/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ AR P10275 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ SMARCA2 P51531 1/20 0.32
▸ SMARCA4 P51532 1/20 0.32
▸ PBRM1 Q86U86 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32

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
SCHEMBL30867870 0.89 NR1H2 (0.34) HDAC1PIK3CAMTORPIK3CGATR
SCHEMBL30867869 0.89 HDAC1 (0.34) HDAC1NR1H2NR1H3
SCHEMBL30867686 0.85 HSD11B1 (0.35) HDAC1
SCHEMBL30911096 0.82 SMARCA2 (0.48) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL30867805 0.81 NR1H2 (0.33) HDAC1ARUSP30NR1H2NR1H3
SCHEMBL38653820 0.73 ACACB (0.36) —
SCHEMBL30867765 0.70 GPR119 (0.51) PIK3CAPIK3R1SMARCA2SMARCA4PBRM1
SCHEMBL30911167 0.70 GPR119 (0.46) PIK3CAPIK3R1USP30SMARCA2SMARCA4
SCHEMBL30911135 0.70 GPR119 (0.46) PIK3CAPIK3R1USP30SMARCA2SMARCA4
SCHEMBL38654099 0.69 GPR119 (0.46) PIK3CAPIK3R1USP30SMARCA2SMARCA4

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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