SCHEMBL27377150

SCHEMBL27377150

CC(C)(C)OC(=O)NCCCCOCCNc1cc(-c2cnn(C3CCCCO3)c2C#N)cc2c1cnn2C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.41
▸ PRMT5 O14744 2/20 0.33
▸ WDR77 Q9BQA1 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ FPR3 P25089 2/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ PGGT1B P53609 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ TLR2 O60603 1/20 0.31
▸ TLR1 Q15399 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ RET P07949 1/20 0.31

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
SCHEMBL30797714 1.00 ATR (0.41) ATRPRMT5WDR77RXRARXRB
SCHEMBL27377137 0.89 ATR (0.46) ATRPRMT5WDR77RXRARXRB
SCHEMBL30797758 0.89 ATR (0.46) ATRPRMT5WDR77RXRARXRB
SCHEMBL30797857 0.88 ATR (0.41) ATRRXRARXRBRXRGBRD4
SCHEMBL30869032 0.85 ATR (0.42) ATRRXRARXRBRXRGBRD4
SCHEMBL30869070 0.85 ATR (0.42) ATRRXRARXRBRXRGBRD4
SCHEMBL30797547 0.85 ATR (0.42) ATRRXRARXRBRXRGBRD4
SCHEMBL30797730 0.84 ATR (0.44) ATRRXRARXRBRXRGBRD4
SCHEMBL30797974 0.84 ATR (0.44) ATRRXRARXRBRXRGBRD4
SCHEMBL30797688 0.84 ATR (0.44) ATRRXRARXRBRXRGBRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
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