SCHEMBL30869139

SCHEMBL30869139

COC(=O)CCc1cc(NCCOCCCCNC(=O)OC(C)(C)C)c2cnn(C3CCCCO3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.42
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ DDB1 Q16531 3/20 0.35
▸ CRBN Q96SW2 3/20 0.35
▸ TLR2 O60603 2/20 0.33
▸ TLR1 Q15399 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ FPR3 P25089 2/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ KRAS P01116 1/20 0.32
▸ PLK1 P53350 2/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL30869153 0.90 ATR (0.41) ATRRXRARXRBRXRGDDB1
SCHEMBL30869070 0.87 ATR (0.42) ATRRXRARXRBRXRGDDB1
SCHEMBL30869074 0.86 ATR (0.43) ATRRXRARXRBRXRGTLR2
SCHEMBL30797730 0.86 ATR (0.44) ATRRXRARXRBRXRGDDB1
SCHEMBL30869078 0.84 ATR (0.45) ATRDDB1CRBNTLR2TLR1
SCHEMBL30797851 0.84 ATR (0.43) ATRRXRARXRBRXRGDDB1
SCHEMBL30869032 0.83 ATR (0.42) ATRRXRARXRBRXRGDDB1
SCHEMBL30797547 0.82 ATR (0.42) ATRRXRARXRBRXRGTLR2
SCHEMBL30797688 0.82 ATR (0.44) ATRRXRARXRBRXRGDDB1
SCHEMBL27376667 0.82 ATR (0.41) ATRRXRARXRBRXRGDDB1

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-4584249-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS Cambridge Enterprise Limited (GB) 2025-07-16 — — EP disclosed
WO-2024052702-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
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