SCHEMBL25611174

SCHEMBL25611174

CC1CC(C(=O)Nc2ncc(-c3ccc4cnccc4c3)s2)CCN1C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 14/20 0.55
▸ GSK3B P49841 13/20 0.55
▸ WNT1 P04628 6/20 0.55
▸ MKNK1 Q9BUB5 1/20 0.50
▸ ABL1 P00519 1/20 0.45
▸ UCHL1 P09936 2/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CLK3 P49761 1/20 0.42

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
SCHEMBL25602322 0.88 GSK3B (0.70) DYRK1AGSK3BWNT1MKNK1ABL1
SCHEMBL30481303 0.88 GSK3B (0.70) DYRK1AGSK3BWNT1MKNK1ABL1
SCHEMBL25612077 0.84 GSK3B (0.56) DYRK1AGSK3BWNT1MKNK1ABL1
SCHEMBL31165742 0.84 DYRK1A (0.56) DYRK1AGSK3BWNT1MKNK1ABL1
SCHEMBL25602324 0.84 DYRK1A (0.56) DYRK1AGSK3BWNT1MKNK1ABL1
SCHEMBL31501380 0.82 GSK3B (0.61) DYRK1AGSK3BWNT1MKNK1CDK5
SCHEMBL25602457 0.82 GSK3B (0.61) DYRK1AGSK3BWNT1MKNK1CDK5
SCHEMBL25610793 0.80 GSK3B (0.53) DYRK1AGSK3BWNT1MKNK1ABL1
SCHEMBL25263375 0.80 GSK3B (0.56) DYRK1AGSK3BWNT1MKNK1ABL1
SCHEMBL31501331 0.79 DYRK1A (0.49) DYRK1AGSK3BWNT1MKNK1ABL1

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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