SCHEMBL25612325

SCHEMBL25612325

CN1CCC(C(=O)Nc2ncc(-c3cnc(C#N)cn3)s2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.60
▸ GSK3B P49841 4/20 0.48
▸ DYRK1A Q13627 4/20 0.48
▸ WNT1 P04628 3/20 0.48
▸ UCHL1 P09936 3/20 0.48
▸ USP30 Q70CQ3 2/20 0.44
▸ CCNE2 O96020 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.40
▸ OGA O60502 5/20 0.40
▸ CHEK1 O14757 2/20 0.39
▸ CHEK2 O96017 1/20 0.39

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
SCHEMBL25612253 0.85 MKNK1 (0.61) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL31272043 0.83 MKNK1 (0.66) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25605170 0.80 MKNK1 (0.74) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL31501390 0.80 MKNK1 (0.61) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25612252 0.77 MKNK1 (0.64) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25605337 0.76 MKNK1 (0.64) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25605166 0.75 MKNK1 (0.58) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25605169 0.73 MKNK1 (0.56) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25859144 0.73 MKNK1 (0.64) MKNK1GSK3BDYRK1AWNT1CCNE2
SCHEMBL25609256 0.73 MKNK1 (0.81) MKNK1GSK3BDYRK1AWNT1UCHL1

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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