SCHEMBL30797897

SCHEMBL30797897

CC(C)(C)OC(=O)NCCCCOCCNc1cc(Cl)nc2c1cnn2C1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 4/20 0.46
▸ STK17B O94768 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37
▸ NT5E P21589 1/20 0.37
▸ BRD4 O60885 8/20 0.37
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ ATRIP Q8WXE1 1/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ TLR1 Q15399 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34

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
SCHEMBL30797579 0.87 ATR (0.41) ATRBRD4ADORA3ADORA2AADORA1
SCHEMBL30797685 0.86 ATR (0.46) ATRSTK17BSTK17ABRD4
SCHEMBL30797730 0.85 ATR (0.44) ATRBRD4ATRIPTLR2TLR1
SCHEMBL30869078 0.85 ATR (0.45) ATRBRD4ADORA3ADORA2AADORA1
SCHEMBL30869074 0.84 ATR (0.43) ATRBRD4ATRIPTLR2TLR1
SCHEMBL30869070 0.84 ATR (0.42) ATRBRD4ATRIPTLR2TLR1
SCHEMBL30797851 0.83 ATR (0.43) ATRBRD4ATRIPTLR2TLR1
SCHEMBL30869032 0.82 ATR (0.42) ATRBRD4ATRIPTLR2TLR1
SCHEMBL30869139 0.82 ATR (0.42) ATRBRD4TLR2TLR1DDB1
SCHEMBL30797547 0.82 ATR (0.42) ATRBRD4ADORA3ADORA2AADORA1

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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