SCHEMBL27377168

SCHEMBL27377168

CC(C)(C)OC(=O)NCCCCOCCNc1cc(-c2cnnc(N)c2)cc2c1cnn2C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.41
▸ BRD4 O60885 9/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ FPR3 P25089 2/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 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
SCHEMBL30797873 1.00 ATR (0.41) ATRBRD4RXRARXRBRXRG
SCHEMBL30797746 0.89 ATR (0.46) ATRBRD4RXRARXRBRXRG
SCHEMBL27378404 0.89 ATR (0.46) ATRBRD4RXRARXRBRXRG
SCHEMBL30797688 0.89 ATR (0.44) ATRBRD4RXRARXRBRXRG
SCHEMBL30797547 0.86 ATR (0.42) ATRBRD4RXRARXRBRXRG
SCHEMBL27377014 0.86 ATR (0.41) ATRBRD4RXRARXRBRXRG
SCHEMBL30797677 0.86 ATR (0.41) ATRBRD4RXRARXRBRXRG
SCHEMBL30797974 0.86 ATR (0.44) ATRBRD4RXRARXRBRXRG
SCHEMBL30797730 0.84 ATR (0.44) ATRBRD4RXRARXRBRXRG
SCHEMBL27377165 0.84 BRD4 (0.34) BRD4ADORA2AADORA1CSNK2A2CSNK2A1

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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