SCHEMBL5042836

SCHEMBL5042836

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.45
▸ PDPK1 O15530 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ AXL P30530 1/20 0.41
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ DYRK1A Q13627 7/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ WNT1 P04628 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37

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
SCHEMBL1175909 1.00 GSK3B (0.45) GSK3BPDPK1JAK2AXLCCNC
SCHEMBL5042826 0.89 DYRK1A (0.39) GSK3BJAK2DYRK1AMAPTMAPK1
SCHEMBL2600886 0.89 AXL (0.41) GSK3BAXLDYRK1AMAPTMAPK1
SCHEMBL2006524 0.89 DYRK1A (0.39) GSK3BJAK2DYRK1AMAPTMAPK1
SCHEMBL1175931 0.86 GSK3B (0.52) GSK3BDYRK1A
SCHEMBL1175579 0.86 DYRK1A (0.38) GSK3BDYRK1AMAPTMAPK1WNT1
SCHEMBL5044513 0.86 GSK3B (0.52) GSK3BDYRK1A
SCHEMBL5044466 0.86 DYRK1A (0.38) GSK3BDYRK1AMAPTMAPK1WNT1
SCHEMBL5042792 0.85 DYRK1A (0.56) GSK3BJAK2AXLDYRK1AWNT1
Hydrochloric Acid SCHEMBL1175804 0.85 GSK3B (0.52) GSK3BDYRK1A

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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