SCHEMBL25612253

SCHEMBL25612253

CN1CCC(C(=O)Nc2ncc(-c3ccc(C#N)nn3)s2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.61
▸ GSK3B P49841 6/20 0.48
▸ DYRK1A Q13627 4/20 0.48
▸ WNT1 P04628 2/20 0.48
▸ UCHL1 P09936 3/20 0.48
▸ USP30 Q70CQ3 2/20 0.45
▸ CCNE2 O96020 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ OGA O60502 5/20 0.41
▸ GSK3A P49840 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40

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
SCHEMBL25612325 0.85 MKNK1 (0.60) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL31272043 0.82 MKNK1 (0.66) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25605170 0.80 MKNK1 (0.74) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL31501390 0.78 MKNK1 (0.61) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25605337 0.76 MKNK1 (0.64) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25612252 0.76 MKNK1 (0.64) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25605166 0.75 MKNK1 (0.58) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25602729 0.75 MKNK1 (0.60) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL31501342 0.75 MKNK1 (0.60) MKNK1GSK3BDYRK1AWNT1UCHL1
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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