SCHEMBL5042826

SCHEMBL5042826

CN1CC2CC1CN2C(=O)c1n[nH]c2ccc(O)cc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 10/20 0.39
▸ GSK3B P49841 7/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ WNT1 P04628 3/20 0.38
▸ CDK2 P24941 1/20 0.37
▸ CDK16 Q00536 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ VNN1 O95497 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
SCHEMBL2006524 1.00 DYRK1A (0.39) DYRK1AGSK3BJAK2JAK1TYK2
SCHEMBL1175909 0.89 GSK3B (0.45) DYRK1AGSK3BJAK2MAPTMAPK1
SCHEMBL5042836 0.89 GSK3B (0.45) DYRK1AGSK3BJAK2MAPTMAPK1
SCHEMBL2600886 0.89 AXL (0.41) DYRK1AGSK3BMAPTMAPK1WNT1
SCHEMBL1175931 0.86 GSK3B (0.52) DYRK1AGSK3BCDK2CDK16
SCHEMBL5044513 0.86 GSK3B (0.52) DYRK1AGSK3BCDK2CDK16
SCHEMBL5044466 0.86 DYRK1A (0.38) DYRK1AGSK3BMAPTMAPK1WNT1
SCHEMBL1175579 0.86 DYRK1A (0.38) DYRK1AGSK3BMAPTMAPK1WNT1
SCHEMBL5042792 0.85 DYRK1A (0.56) DYRK1AGSK3BJAK2WNT1
Hydrochloric Acid SCHEMBL1175804 0.85 GSK3B (0.52) DYRK1AGSK3BCDK2CDK16

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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