SCHEMBL5046675

SCHEMBL5046675

Cc1csc(-c2ccc3[nH]nc(C(=O)N4CC5CC4CN5C)c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 0.40
▸ GSK3B P49841 12/20 0.40
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ WNT1 P04628 3/20 0.38
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ BACE1 P56817 1/20 0.36

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
SCHEMBL1176539 1.00 DYRK1A (0.40) DYRK1AGSK3BCLK2CLK3CHEK1
Formic Acid SCHEMBL5562045 0.96 DYRK1A (0.38) DYRK1AGSK3BCLK2CLK3CHEK1
SCHEMBL1176680 0.93 CHEK1 (0.41) DYRK1AGSK3BCLK2CLK3CHEK1
SCHEMBL5044696 0.93 CHEK1 (0.41) DYRK1AGSK3BCLK2CLK3CHEK1
Formic Acid SCHEMBL5562022 0.89 CHEK1 (0.38) DYRK1AGSK3BCLK2CLK3CHEK1
SCHEMBL5038892 0.87 DYRK1A (0.41) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL1175540 0.87 DYRK1A (0.41) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL1175940 0.86 GSK3B (0.42) DYRK1AGSK3BCLK2CLK3CHEK1
SCHEMBL1176793 0.86 GSK3B (0.42) DYRK1AGSK3BCLK2CLK3CHEK1
SCHEMBL1175808 0.84 HAO1 (0.44) DYRK1AGSK3BCLK2CLK3WNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US claimed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP claimed
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