SCHEMBL28600309

SCHEMBL28600309

CC(C)(C)OC(=O)N1CCC(CNc2ncc3ccc(-c4cn[nH]c4)cc3n2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.64
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
MAP4K1 Q92918 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
IRAK1 P51617 1/20 0.44
PIK3CD O00329 1/20 0.43
JAK1 P23458 1/20 0.43
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
WNT1 P04628 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
PRMT5 O14744 1/20 0.42
ROCK2 O75116 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL19017745 1.00 USP30 (0.64) USP30IDO1TDO2MAP4K1GPR119
SCHEMBL29908199 1.00 USP30 (0.64) USP30IDO1TDO2MAP4K1GPR119
SCHEMBL18987031 0.88 USP30 (0.70) USP30MAP4K1WNT1GSK3BDYRK1A
SCHEMBL18987030 0.88 USP30 (0.70) USP30MAP4K1WNT1GSK3BDYRK1A
SCHEMBL28592475 0.85 IDO1 (0.55) USP30IDO1TDO2GPR119IRAK1
SCHEMBL19017746 0.85 IDO1 (0.55) USP30IDO1TDO2GPR119IRAK1
SCHEMBL29908216 0.85 IDO1 (0.55) USP30IDO1TDO2GPR119IRAK1
SCHEMBL18987182 0.81 USP30 (0.65) USP30IDO1TDO2GPR119IRAK1
SCHEMBL18987177 0.78 USP30 (1.00) USP30MAP4K1
SCHEMBL24659688 0.72 KDM1A (0.56) IDO1TDO2GPR119IRAK1CCNT1

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
CN-108368089-B Deubiquitinase inhibitor 特殊治疗有限公司 2021-07-06 CN disclosed