SCHEMBL25612327

SCHEMBL25612327

CN1CCC(C(=O)Nc2ncc(-c3ccc(C#N)c4[nH]ccc34)s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.54
▸ GSK3B P49841 3/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ WNT1 P04628 1/20 0.44
▸ UCHL1 P09936 2/20 0.44
▸ USP30 Q70CQ3 2/20 0.41
▸ CCNE2 O96020 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ JAK1 P23458 5/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ TBK1 Q9UHD2 3/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.37

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
SCHEMBL25610594 0.83 MKNK1 (0.55) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25612174 0.80 MKNK1 (0.54) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25611610 0.79 MKNK1 (0.55) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25605337 0.77 MKNK1 (0.64) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL30481263 0.77 CSNK2A2 (0.41) —
SCHEMBL31272043 0.76 MKNK1 (0.66) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25605166 0.76 MKNK1 (0.58) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25605170 0.75 MKNK1 (0.74) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25610896 0.75 MKNK1 (0.61) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25612824 0.75 MAPT (0.42) ROCK2

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
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