SCHEMBL27377165

SCHEMBL27377165

CC(C)(C)OC(=O)NCCCCOCCNc1cc(-c2cnnc(N)c2)cc2c1cnn2PI

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 14/20 0.34
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ CA12 O43570 3/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2A1 P68400 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
SCHEMBL27377011 0.85 DDB1 (0.34) BRD4SCN9ACA12CA1CA2
SCHEMBL30797873 0.84 ATR (0.41) BRD4ADORA2AADORA1CSNK2A2CSNK2A1
SCHEMBL27377168 0.84 ATR (0.41) BRD4ADORA2AADORA1CSNK2A2CSNK2A1
SCHEMBL27377147 0.82 CCNC (0.33) BRD4ADORA2AADORA1SCN9ACA12
SCHEMBL27377504 0.81 CSNK2A2 (0.37) BRD4SCN9ACA12CA1CA2
SCHEMBL27376660 0.78 PRMT5 (0.37) BRD4SCN9ACA12CA1CA2
SCHEMBL27376512 0.74 BRD4 (0.38) BRD4
SCHEMBL27378341 0.73 SCN9A (0.38) BRD4SCN9ACA12CA1CA2
SCHEMBL30797746 0.72 ATR (0.46) BRD4SCN9ACA12CA1CA2
SCHEMBL27378404 0.72 ATR (0.46) BRD4SCN9ACA12CA1CA2

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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