SCHEMBL25613752

SCHEMBL25613752

Cc1ncc2ccc(-c3cnc(NC(=O)N4CCOCC4)s3)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.50
DYRK1A Q13627 10/20 0.50
CNR2 P34972 2/20 0.48
LMNA P02545 1/20 0.48
WNT1 P04628 3/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
WNT3A P56704 1/20 0.42
ABL1 P00519 1/20 0.42
CHEK1 O14757 1/20 0.42
NPY5R Q15761 1/20 0.42

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
SCHEMBL25613753 0.85 GSK3B (0.40) GSK3BDYRK1ACNR2LMNAWNT1
SCHEMBL31271677 0.83 GSK3B (0.52) GSK3BDYRK1ACNR2WNT1SMN1; SMN2
SCHEMBL25613237 0.83 GSK3B (0.52) GSK3BDYRK1ACNR2WNT1SMN1; SMN2
SCHEMBL20949480 0.82 GSK3B (0.55) GSK3BDYRK1ALMNAWNT1NPC1
SCHEMBL25614117 0.82 WNT1 (0.49) GSK3BDYRK1ACNR2WNT1SMN1; SMN2
SCHEMBL25613750 0.81 GSK3B (0.53) GSK3BDYRK1ACNR2LMNAWNT1
SCHEMBL25613669 0.79 ABL1 (0.46) GSK3BDYRK1AWNT1NPC1SMN1; SMN2
SCHEMBL25612756 0.78 DYRK1A (0.66) GSK3BDYRK1AWNT1ABL1
SCHEMBL25613678 0.77 GSK3B (0.54) GSK3BDYRK1AWNT1RAB9AABL1
SCHEMBL25613668 0.77 GSK3B (0.43) GSK3BDYRK1ACNR2WNT1ABL1

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