SCHEMBL25610302

SCHEMBL25610302

CO[n+]1ccc(-c2cnc(NC(=O)C3CCN(C)CC3)s2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.72
▸ GSK3B P49841 9/20 0.55
▸ DYRK1A Q13627 9/20 0.55
▸ WNT1 P04628 4/20 0.55
▸ UCHL1 P09936 2/20 0.50
▸ KCNQ1 P51787 1/20 0.47
▸ USP30 Q70CQ3 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CCNE2 O96020 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41

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
SCHEMBL25606129 0.88 MKNK1 (0.77) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25219590 0.87 MKNK1 (0.76) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25609256 0.81 MKNK1 (0.81) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25605170 0.80 MKNK1 (0.74) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25611765 0.77 DYRK1A (0.74) MKNK1GSK3BDYRK1AWNT1
SCHEMBL25610896 0.75 MKNK1 (0.61) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL25602720 0.75 DYRK1A (0.77) MKNK1GSK3BDYRK1AWNT1
SCHEMBL31501400 0.75 DYRK1A (0.77) MKNK1GSK3BDYRK1AWNT1
SCHEMBL25602732 0.75 MKNK1 (0.69) MKNK1GSK3BDYRK1AWNT1UCHL1
SCHEMBL31501339 0.75 MKNK1 (0.60) MKNK1GSK3BDYRK1AWNT1

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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