SCHEMBL25614117

SCHEMBL25614117

Cc1ncc2ccc(-c3cnc(NC(=O)C4CCCOCC4)s3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 6/20 0.49
GSK3B P49841 6/20 0.49
DYRK1A Q13627 6/20 0.49
CNR2 P34972 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
ABL1 P00519 8/20 0.44
RIPK1 Q13546 1/20 0.44

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
SCHEMBL25613237 0.96 GSK3B (0.52) WNT1GSK3BDYRK1ACNR2HDAC3
SCHEMBL31271677 0.96 GSK3B (0.52) WNT1GSK3BDYRK1ACNR2HDAC3
SCHEMBL25612756 0.84 DYRK1A (0.66) WNT1GSK3BDYRK1AMKNK1ABL1
SCHEMBL25614115 0.82 GSK3B (0.54) WNT1GSK3BDYRK1ACNR2HDAC3
SCHEMBL25613678 0.82 GSK3B (0.54) WNT1GSK3BDYRK1AMKNK1ABL1
SCHEMBL25613752 0.82 GSK3B (0.50) WNT1GSK3BDYRK1ACNR2SMN1; SMN2
SCHEMBL25613668 0.82 GSK3B (0.43) WNT1GSK3BDYRK1ACNR2HDAC3
SCHEMBL25611613 0.82 WNT1 (0.48) WNT1GSK3BDYRK1ACNR2HDAC3
SCHEMBL31271858 0.81 GSK3B (0.48) WNT1GSK3BDYRK1AMKNK1ABL1
SCHEMBL25609006 0.81 GSK3B (0.48) WNT1GSK3BDYRK1AMKNK1ABL1

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-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed