SCHEMBL29976555

SCHEMBL29976555

CC(C)(C)OC(=O)N1CCC(N2CCC(CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 14/20 0.54
IRAK1 P51617 2/20 0.54
IRAK4 Q9NWZ3 2/20 0.54
IRAK3 Q9Y616 2/20 0.54
AR P10275 7/20 0.53
BTK Q06187 3/20 0.50
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
NTRK3 Q16288 1/20 0.49
HASPIN Q8TF76 1/20 0.49
CDK19 Q9BWU1 1/20 0.49
DDB1 Q16531 2/20 0.48
CDK9 P50750 1/20 0.48
RAF1 P04049 2/20 0.46
PLK4 O00444 1/20 0.44
ALK Q9UM73 1/20 0.43

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
SCHEMBL27162021 1.00 CRBN (0.54) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL29802963 0.95 CRBN (0.58) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL20234891 0.95 CRBN (0.58) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL29927426 0.95 CRBN (0.58) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL29132100 0.95 CRBN (0.58) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL29927733 0.94 CRBN (0.59) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL29132140 0.94 CRBN (0.59) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL29132182 0.92 CRBN (0.58) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL20231763 0.92 CRBN (0.59) CRBNIRAK1IRAK4IRAK3AR
SCHEMBL29132119 0.92 CRBN (0.55) CRBNIRAK1IRAK4IRAK3AR

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-2022228547-A1 PHOSPHONYL DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-11-03 WO disclosed