SCHEMBL25614115

SCHEMBL25614115

O=C(Nc1ncc(-c2ccc3cnc(Cl)cc3c2)s1)C1CCCOCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.54
DYRK1A Q13627 12/20 0.54
WNT1 P04628 10/20 0.54
CNR2 P34972 1/20 0.47
ABL1 P00519 5/20 0.47
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 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
SCHEMBL25611175 0.96 GSK3B (0.57) GSK3BDYRK1AWNT1CNR2ABL1
SCHEMBL25611226 0.93 GSK3B (0.52) GSK3BDYRK1AWNT1CNR2ABL1
SCHEMBL25609003 0.91 GSK3B (0.54) GSK3BDYRK1AWNT1CNR2ABL1
SCHEMBL31271929 0.91 GSK3B (0.54) GSK3BDYRK1AWNT1CNR2ABL1
SCHEMBL25614690 0.91 GSK3B (0.60) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL25611371 0.84 GSK3B (0.57) GSK3BDYRK1AWNT1CNR2ABL1
SCHEMBL25614040 0.84 GSK3B (0.57) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL25613020 0.84 GSK3B (0.55) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL25611617 0.84 GSK3B (0.56) GSK3BDYRK1AWNT1CNR2ABL1
SCHEMBL25613754 0.84 DYRK1A (0.46) GSK3BDYRK1AWNT1CNR2ABL1

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