SCHEMBL25613754

SCHEMBL25613754

O=C(Nc1ncc(-c2ccc3cnc(Cl)cc3c2)s1)OC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 0.46
GSK3B P49841 12/20 0.46
WNT1 P04628 11/20 0.46
RIPK1 Q13546 1/20 0.45
CNR2 P34972 1/20 0.40
ABL1 P00519 1/20 0.37
GCK P35557 2/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
PTGER1 P34995 1/20 0.36

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 0.87 GSK3B (0.57) DYRK1AGSK3BWNT1CNR2ABL1
SCHEMBL31271929 0.84 GSK3B (0.54) DYRK1AGSK3BWNT1CNR2ABL1
SCHEMBL25609003 0.84 GSK3B (0.54) DYRK1AGSK3BWNT1CNR2ABL1
SCHEMBL25614115 0.84 GSK3B (0.54) DYRK1AGSK3BWNT1CNR2ABL1
SCHEMBL25611226 0.81 GSK3B (0.52) DYRK1AGSK3BWNT1CNR2ABL1
SCHEMBL25613750 0.80 GSK3B (0.53) DYRK1AGSK3BWNT1CNR2
SCHEMBL25614268 0.80 DYRK1A (0.47) DYRK1AGSK3BWNT1ABL1JAK2
SCHEMBL25614690 0.80 GSK3B (0.60) DYRK1AGSK3BWNT1ABL1JAK2
SCHEMBL31272093 0.80 DYRK1A (0.49) DYRK1AGSK3BWNT1ABL1JAK2
SCHEMBL25608970 0.80 DYRK1A (0.49) DYRK1AGSK3BWNT1ABL1JAK2

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