SCHEMBL30869062

SCHEMBL30869062

CC(C)(C)OC(=O)NCCCOCCCOc1cc(-n2cnnc2)cc2c1cnn2C1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 7/20 0.49
▸ SCN9A Q15858 1/20 0.39
▸ ATRIP Q8WXE1 3/20 0.36
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CYP3A43 Q9HB55 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ FPR3 P25089 1/20 0.32
▸ FPR2 P25090 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
SCHEMBL30868994 0.98 ATR (0.51) ATRSCN9AATRIPRXRARXRB
SCHEMBL30797874 0.96 ATR (0.48) ATRSCN9AATRIPRXRARXRB
SCHEMBL30797851 0.87 ATR (0.43) ATRATRIPRXRARXRBRXRG
SCHEMBL30869082 0.85 ATR (0.45) ATRATRIPHTR1DHTR1BTRIM24
SCHEMBL27376514 0.84 ATR (0.42) ATRRXRARXRBRXRGHTR1D
SCHEMBL30797676 0.84 ATR (0.42) ATRATRIPRXRARXRBRXRG
SCHEMBL30797968 0.83 ATR (0.51) ATRSCN9AATRIPRXRARXRB
SCHEMBL27376610 0.83 ATR (0.51) ATRSCN9AATRIPRXRARXRB
SCHEMBL30869059 0.83 ATR (0.40) ATRSCN9ARXRARXRBRXRG
SCHEMBL30797903 0.82 ATR (0.50) ATRSCN9AATRIPRXRARXRB

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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