SCHEMBL25614690

SCHEMBL25614690

O=C(Nc1ncc(-c2ccc3cnc(Cl)cc3c2)s1)C1CCC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.60
DYRK1A Q13627 12/20 0.60
WNT1 P04628 8/20 0.60
JAK2 O60674 1/20 0.50
TYK2 P29597 1/20 0.50
ABL1 P00519 4/20 0.48
MKNK1 Q9BUB5 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL25614115 0.91 GSK3B (0.54) GSK3BDYRK1AWNT1JAK2TYK2
SCHEMBL25611175 0.91 GSK3B (0.57) GSK3BDYRK1AWNT1JAK2TYK2
SCHEMBL25614040 0.91 GSK3B (0.57) GSK3BDYRK1AWNT1JAK2TYK2
SCHEMBL25611226 0.90 GSK3B (0.52) GSK3BDYRK1AWNT1JAK2TYK2
SCHEMBL25612007 0.90 GSK3B (0.57) GSK3BDYRK1AWNT1JAK2TYK2
SCHEMBL25610968 0.89 DYRK1A (0.75) GSK3BDYRK1AWNT1MKNK1
SCHEMBL25609003 0.88 GSK3B (0.54) GSK3BDYRK1AWNT1JAK2TYK2
SCHEMBL31271929 0.88 GSK3B (0.54) GSK3BDYRK1AWNT1JAK2TYK2
SCHEMBL25612078 0.88 DYRK1A (0.60) GSK3BDYRK1AWNT1MKNK1USP30
SCHEMBL25613020 0.86 GSK3B (0.55) GSK3BDYRK1AWNT1JAK2TYK2

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