SCHEMBL4261851

SCHEMBL4261851

Cc1ccc(-c2ccc3[nH]nc(C(=O)N4CCN5CCC4CC5)c3c2)s1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 19/20 0.43
▸ GSK3B P49841 10/20 0.43
▸ CLK2 P49760 4/20 0.41
▸ CLK3 P49761 4/20 0.41
▸ WNT1 P04628 4/20 0.39
▸ UGCG Q16739 1/20 0.38

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
Bromide SCHEMBL4222944 0.92 UGCG (0.38) DYRK1AGSK3BUGCG
SCHEMBL1572715 0.86 DYRK1A (0.51) DYRK1AGSK3BCLK2CLK3
SCHEMBL1572791 0.82 HAO1 (0.45) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL1572745 0.80 GSK3B (0.43) DYRK1AGSK3BCLK2CLK3UGCG
SCHEMBL4529923 0.80 CCNC (0.42) DYRK1AWNT1UGCG
SCHEMBL5038892 0.80 DYRK1A (0.41) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL1572800 0.80 DYRK1A (0.39) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL1175540 0.80 DYRK1A (0.41) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL1175956 0.80 DYRK1A (0.41) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL4232915 0.79 GSK3B (0.46) GSK3BUGCG

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
EP-1575960-B1 1,4-DIAZABICYCLO 3.2.2 NONANECARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2009-03-18 — — EP disclosed
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