SCHEMBL30869068

SCHEMBL30869068

CC(C)(C)OC(=O)NCCCCOCCOc1cc(-c2ccnnc2)cc2c1nnn2C1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 6/20 0.46
▸ ATRIP Q8WXE1 3/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ BRD4 O60885 6/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ TTK P33981 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL30797903 0.90 ATR (0.50) ATRATRIPCNR1BRD4DDB1
SCHEMBL30868992 0.89 ATR (0.42) ATRATRIPBRD4DDB1CRBN
SCHEMBL30869097 0.85 ATR (0.47) ATRATRIPCNR1BRD4CA12
SCHEMBL30869149 0.85 ATR (0.47) ATRATRIPCNR1BRD4CA12
SCHEMBL30869082 0.84 ATR (0.45) ATRATRIPCNR1BRD4CA12
SCHEMBL30797746 0.82 ATR (0.46) ATRATRIPCNR1BRD4DDB1
SCHEMBL27378404 0.82 ATR (0.46) ATRATRIPCNR1BRD4DDB1
SCHEMBL30797688 0.81 ATR (0.44) ATRATRIPBRD4DDB1CRBN
SCHEMBL30869132 0.81 ATR (0.44) ATRATRIPCNR1BRD4DDB1
SCHEMBL30797980 0.78 ATR (0.49) ATRATRIPCNR1BRD4DDB1

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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