SCHEMBL30797746

SCHEMBL30797746

CC(C)(C)OC(=O)NCCCCOCCOc1cc(-c2cnnc(N)c2)cc2c1cnn2C1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 6/20 0.46
▸ SCN9A Q15858 1/20 0.37
▸ ATRIP Q8WXE1 3/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ TLR7 Q9NYK1 3/20 0.33
▸ IL6 P05231 2/20 0.33
▸ DDB1 Q16531 2/20 0.33
▸ CRBN Q96SW2 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 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
SCHEMBL27378404 1.00 ATR (0.46) ATRSCN9AATRIPBRD4CNR1
SCHEMBL30797873 0.89 ATR (0.41) ATRBRD4CSNK2A2CSNK2A1DDB1
SCHEMBL27377168 0.89 ATR (0.41) ATRBRD4CSNK2A2CSNK2A1DDB1
SCHEMBL30797903 0.89 ATR (0.50) ATRSCN9AATRIPBRD4CNR1
SCHEMBL30797700 0.86 ATR (0.47) ATRSCN9AATRIPBRD4CNR1
SCHEMBL30797980 0.86 ATR (0.49) ATRSCN9AATRIPBRD4CNR1
SCHEMBL30797812 0.86 ATR (0.46) ATRSCN9AATRIPBRD4CNR1
SCHEMBL27378350 0.86 ATR (0.46) ATRSCN9AATRIPBRD4CNR1
SCHEMBL30797968 0.84 ATR (0.51) ATRSCN9AATRIPBRD4DDB1
SCHEMBL27376610 0.84 ATR (0.51) ATRSCN9AATRIPBRD4DDB1

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-4584266-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF Cambridge Enterprise Limited (GB) 2025-07-16 — — EP disclosed
WO-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
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