SCHEMBL25344478

SCHEMBL25344478

CC(C)(C)OC(=O)NCCCn1cnc2cc(F)cc(Br)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
BRD4 O60885 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
TDP1 Q9NUW8 1/20 0.37
DRD2 P14416 2/20 0.37
CPB2 Q96IY4 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CAMK2D Q13557 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL25343224 0.83 PRPS1 (0.43) DYRK1ABRD4STK17BSTK17ACA1
SCHEMBL30568519 0.81 DRD2 (0.41) DYRK1ABRD4STK17BSTK17ACA1
SCHEMBL25344128 0.81 DRD2 (0.41) DYRK1ABRD4STK17BSTK17ACA1
SCHEMBL31439941 0.80 MAOA (0.42) BRD4CA1CA2CA12CA9
SCHEMBL25341649 0.79 DRD2 (0.46) BRD4CA1CA2CA12CA9
SCHEMBL25344077 0.78 SSTR4 (0.42) CPB2CSNK2A2CSNK2A1
SCHEMBL31440035 0.77 CAMK2D (0.46) DYRK1ABRD4STK17BSTK17ADRD2
SCHEMBL26926764 0.75 BRD4 (0.41) BRD4CCNCCDK8CA1CA2
SCHEMBL25344456 0.75 SSTR4 (0.37) CPB2
SCHEMBL25342761 0.74 DYRK1A (0.47) DYRK1ABRD4STK17BSTK17ACA1

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-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed