SCHEMBL29939291

SCHEMBL29939291

N#Cc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1C(F)(F)F

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 20/20 0.79
GSK3B P49841 20/20 0.79
MAPT P10636 2/20 0.71
JAK2 O60674 2/20 0.61
PIM1 P11309 2/20 0.61
CDK2 P24941 2/20 0.61
CDK5 Q00535 2/20 0.61
PRKCQ Q04759 2/20 0.61
AURKB Q96GD4 2/20 0.61
IGF1R P08069 1/20 0.61
PDGFRB P09619 1/20 0.61
KIT P10721 1/20 0.61
JAK1 P23458 1/20 0.61
BTK Q06187 1/20 0.61
MAPK14 Q16539 1/20 0.61
TYK2 P29597 1/20 0.59
SYK P43405 1/20 0.59

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
SCHEMBL20205135 1.00 GSK3A (0.79) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20189728 0.88 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20189697 0.83 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20190130 0.83 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20189890 0.82 GSK3A (0.79) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20204961 0.81 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL29939411 0.81 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20190002 0.80 GSK3A (0.92) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20204931 0.80 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20204917 0.79 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1

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-110545817-B GSK-3 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed