SCHEMBL25831121

SCHEMBL25831121

CC(C)(C)OC(=O)N1CCC(c2ccc3c(c2)[nH]c2nc[nH]c(=O)c23)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.50
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
HPGDS O60760 1/20 0.43
JAK2 O60674 4/20 0.42
JAK1 P23458 3/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
IDH1 O75874 1/20 0.41
BTK Q06187 1/20 0.41
PRMT5 O14744 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
PDE4A P27815 1/20 0.40

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
SCHEMBL31017628 1.00 PDE4B (0.50) PDE4BDDB1CRBNCCNKCDK12
SCHEMBL25830951 0.94 DDB1 (0.49) PDE4BDDB1CRBNHPGDSJAK2
SCHEMBL31017624 0.94 DDB1 (0.49) PDE4BDDB1CRBNHPGDSJAK2
SCHEMBL25830811 0.87 TLR8 (0.50) PDE4BDDB1CRBNHPGDSJAK2
SCHEMBL31188127 0.87 TLR8 (0.50) PDE4BDDB1CRBNHPGDSJAK2
SCHEMBL31017634 0.85 PDE4B (0.50) PDE4BDDB1CRBNCCNKCDK12
SCHEMBL25831131 0.85 PDE4B (0.50) PDE4BDDB1CRBNCCNKCDK12
SCHEMBL22608999 0.81 PDE4B (0.57) PDE4BDDB1CRBNHPGDSKDM4E
SCHEMBL25831682 0.80 DDB1 (0.49) DDB1CRBNHPGDSJAK2JAK1
SCHEMBL22609006 0.79 PDE4B (0.57) PDE4BDDB1CRBNCCNKCDK12

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-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed