SCHEMBL25612167

SCHEMBL25612167

CN1CCC(C(=O)Nc2ncc(-c3ccc4nn(C)cc4c3)s2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.64
▸ DYRK1A Q13627 16/20 0.64
▸ GSK3B P49841 15/20 0.64
▸ WNT1 P04628 8/20 0.64
▸ GRM5 P41594 1/20 0.47
▸ GRM1 Q13255 1/20 0.47
▸ CCNE2 O96020 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ UCHL1 P09936 1/20 0.45

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
SCHEMBL25611913 0.85 MKNK1 (0.62) MKNK1DYRK1AGSK3BWNT1UCHL1
SCHEMBL25602720 0.84 DYRK1A (0.77) MKNK1DYRK1AGSK3BWNT1
SCHEMBL31501400 0.84 DYRK1A (0.77) MKNK1DYRK1AGSK3BWNT1
SCHEMBL25222812 0.84 WNT1 (0.47) MKNK1DYRK1AGSK3BWNT1GRM5
SCHEMBL25611765 0.84 DYRK1A (0.74) MKNK1DYRK1AGSK3BWNT1
SCHEMBL31271579 0.83 MKNK1 (0.63) MKNK1DYRK1AGSK3BWNT1CCNE2
SCHEMBL25610637 0.83 MKNK1 (0.63) MKNK1DYRK1AGSK3BWNT1CCNE2
SCHEMBL31472544 0.81 MKNK1 (0.66) MKNK1DYRK1AGSK3BWNT1CCNE2
SCHEMBL30481303 0.81 GSK3B (0.70) MKNK1DYRK1AGSK3BWNT1
SCHEMBL30481235 0.81 MKNK1 (0.66) MKNK1DYRK1AGSK3BWNT1CCNE2

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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