SCHEMBL30869074

SCHEMBL30869074

COC(=O)c1cc(NCCOCCCCNC(=O)OC(C)(C)C)c2cnn(C3CCCCO3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 4/20 0.43
▸ BRD4 O60885 7/20 0.39
▸ TLR2 O60603 1/20 0.35
▸ TLR1 Q15399 1/20 0.35
▸ FPR3 P25089 2/20 0.34
▸ FPR2 P25090 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ TDO2 P48775 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ ATRIP Q8WXE1 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
SCHEMBL30797730 0.89 ATR (0.44) ATRBRD4TLR2TLR1FPR3
SCHEMBL30869078 0.86 ATR (0.45) ATRBRD4TLR2TLR1FPR3
SCHEMBL30869139 0.86 ATR (0.42) ATRBRD4TLR2TLR1FPR3
SCHEMBL30797851 0.86 ATR (0.43) ATRBRD4TLR2TLR1FPR3
SCHEMBL30869032 0.85 ATR (0.42) ATRBRD4TLR2TLR1FPR3
SCHEMBL30869070 0.85 ATR (0.42) ATRBRD4TLR2TLR1FPR3
SCHEMBL30797547 0.85 ATR (0.42) ATRBRD4TLR2TLR1FPR3
SCHEMBL30797974 0.84 ATR (0.44) ATRBRD4TLR2TLR1FPR3
SCHEMBL30797688 0.84 ATR (0.44) ATRBRD4TLR2TLR1FPR3
SCHEMBL30797747 0.84 ATR (0.41) ATRBRD4TLR2TLR1FPR3

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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