SCHEMBL28839870

SCHEMBL28839870

CN(C)c1ccc(-n2ncc3cc(-c4cncc(CN5CCCCCC5)c4)ccc32)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.42
GSK3B P49841 2/20 0.42
CLK2 P49760 8/20 0.41
CLK3 P49761 8/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
WNT1 P04628 6/20 0.39
NR3C1 P04150 1/20 0.38
RET P07949 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
SCHEMBL28127556 0.86 WNT1 (0.46) DYRK1AGSK3BCLK2CLK3DRD2
SCHEMBL28291114 0.86 WNT1 (0.46) DYRK1AGSK3BCLK2CLK3DRD2
SCHEMBL28291102 0.86 WNT1 (0.46) DYRK1AGSK3BCLK2CLK3DRD2
SCHEMBL28127395 0.85 WNT1 (0.47) DYRK1AGSK3BCLK2CLK3DRD2
SCHEMBL28839806 0.84 DYRK1A (0.51) DYRK1AGSK3BCLK2CLK3DRD2
SCHEMBL28952966 0.84 DYRK1A (0.45) DYRK1AGSK3BCLK2CLK3DRD2
SCHEMBL28127518 0.83 WNT1 (0.48) DYRK1AGSK3BCLK2CLK3DRD2
SCHEMBL28127717 0.83 DRD2 (0.51) DYRK1AGSK3BCLK2CLK3DRD2
SCHEMBL28127439 0.82 WNT1 (0.49) DYRK1AGSK3BCLK2CLK3DRD2
SCHEMBL28839832 0.82 NR3C1 (0.40) DYRK1AWNT1NR3C1

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
CN-106535890-A 5-substituted indazole-3-carboxamides and preparation and use thereof 萨穆梅德有限公司 2017-03-22 CN claimed