SCHEMBL25612490

SCHEMBL25612490

O=C(Nc1ncc(-c2ccc3cnc(F)cc3c2)s1)[C@@H]1CCOC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.54
DYRK1A Q13627 9/20 0.54
WNT1 P04628 8/20 0.54
ABL1 P00519 5/20 0.47
MAPK10 P53779 2/20 0.43
MAPK8 P45983 1/20 0.43
MAPK14 Q16539 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
CNR2 P34972 1/20 0.43
USP30 Q70CQ3 1/20 0.42
MKNK1 Q9BUB5 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
SCHEMBL25611371 0.95 GSK3B (0.57) GSK3BDYRK1AWNT1ABL1CNR2
SCHEMBL25612495 0.94 GSK3B (0.52) GSK3BDYRK1AWNT1ABL1HDAC3
SCHEMBL31271929 0.88 GSK3B (0.54) GSK3BDYRK1AWNT1ABL1HDAC3
SCHEMBL25609003 0.88 GSK3B (0.54) GSK3BDYRK1AWNT1ABL1HDAC3
SCHEMBL25611490 0.86 USP30 (0.49) GSK3BDYRK1AWNT1ABL1USP30
SCHEMBL25612330 0.86 GSK3B (0.54) GSK3BDYRK1AWNT1ABL1MKNK1
SCHEMBL25612408 0.85 GSK3B (0.51) GSK3BDYRK1AWNT1ABL1USP30
SCHEMBL25613163 0.85 GSK3B (0.55) GSK3BDYRK1AWNT1ABL1MKNK1
SCHEMBL31271917 0.84 GSK3B (0.57) GSK3BDYRK1AWNT1ABL1MKNK1
SCHEMBL25609004 0.84 GSK3B (0.57) GSK3BDYRK1AWNT1ABL1MKNK1

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