SCHEMBL25437833

SCHEMBL25437833

CN1CCC(C(=O)Nc2ncc(-c3ccc4ncoc4c3)s2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.64
▸ GSK3B P49841 14/20 0.58
▸ DYRK1A Q13627 14/20 0.58
▸ WNT1 P04628 8/20 0.58
▸ CCNE2 O96020 1/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ UCHL1 P09936 2/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ USP30 Q70CQ3 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
SCHEMBL31380017 1.00 MKNK1 (0.64) MKNK1GSK3BDYRK1AWNT1CCNE2
SCHEMBL25645546 0.81 MKNK1 (0.66) MKNK1GSK3BDYRK1AWNT1CCNE2
SCHEMBL31472544 0.81 MKNK1 (0.66) MKNK1GSK3BDYRK1AWNT1CCNE2
SCHEMBL30481235 0.81 MKNK1 (0.66) MKNK1GSK3BDYRK1AWNT1CCNE2
SCHEMBL25854733 0.80 MKNK1 (0.64) MKNK1GSK3BDYRK1AWNT1CCNE2
SCHEMBL25612167 0.80 MKNK1 (0.64) MKNK1GSK3BDYRK1AWNT1CCNE2
SCHEMBL25611765 0.80 DYRK1A (0.74) MKNK1GSK3BDYRK1AWNT1
SCHEMBL25610637 0.80 MKNK1 (0.63) MKNK1GSK3BDYRK1AWNT1CCNE2
SCHEMBL31271579 0.80 MKNK1 (0.63) MKNK1GSK3BDYRK1AWNT1CCNE2
SCHEMBL30481248 0.79 MKNK1 (0.62) MKNK1GSK3BDYRK1AWNT1CCNE2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444420-A2 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2024-10-16 — — EP disclosed
WO-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
WO-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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