SCHEMBL24607490

SCHEMBL24607490

CC(C)(C)OC(=O)N1C2CCC1CN(c1cccc3c(N4CCC(=O)NC4=O)cncc13)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 11/20 0.44
CRBN Q96SW2 11/20 0.44
JAK1 P23458 2/20 0.42
CYP11B2 P19099 1/20 0.40
HDAC1 Q13547 1/20 0.40
GPR119 Q8TDV5 2/20 0.37
HSD11B1 P28845 1/20 0.36
SCN9A Q15858 2/20 0.35

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
SCHEMBL29751169 1.00 DDB1 (0.44) DDB1CRBNJAK1CYP11B2HDAC1
SCHEMBL24607600 0.95 DDB1 (0.44) DDB1CRBNJAK1CYP11B2HDAC1
SCHEMBL29751579 0.95 DDB1 (0.44) DDB1CRBNJAK1CYP11B2HDAC1
SCHEMBL29751140 0.86 DDB1 (0.48) DDB1CRBNCYP11B2GPR119
SCHEMBL24607451 0.86 DDB1 (0.48) DDB1CRBNCYP11B2GPR119
SCHEMBL24607781 0.81 PARP1 (0.46) DDB1CRBNCYP11B2HDAC1GPR119
SCHEMBL29751385 0.81 PARP1 (0.46) DDB1CRBNCYP11B2HDAC1GPR119
SCHEMBL24508854 0.81 DDB1 (0.44) DDB1CRBNCYP11B2
SCHEMBL30545177 0.81 DDB1 (0.44) DDB1CRBNCYP11B2
SCHEMBL29709781 0.81 DDB1 (0.44) DDB1CRBNCYP11B2

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-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed