SCHEMBL29939484

SCHEMBL29939484

O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(OC(F)F)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 20/20 1.00
GSK3B P49841 20/20 1.00
MAPT P10636 2/20 0.69
JAK2 O60674 2/20 0.68
PIM1 P11309 2/20 0.68
CDK2 P24941 2/20 0.68
CDK5 Q00535 2/20 0.68
PRKCQ Q04759 2/20 0.68
AURKB Q96GD4 2/20 0.68
TYK2 P29597 1/20 0.68
SYK P43405 1/20 0.68
IGF1R P08069 1/20 0.60
PDGFRB P09619 1/20 0.60
KIT P10721 1/20 0.60
JAK1 P23458 1/20 0.60
BTK Q06187 1/20 0.60
MAPK14 Q16539 1/20 0.60

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
SCHEMBL20205138 1.00 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL29939101 0.92 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20205154 0.92 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20190108 0.89 GSK3A (0.81) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL29939505 0.89 GSK3A (0.81) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL29939315 0.89 GSK3A (0.80) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20205132 0.89 GSK3A (0.80) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL29939074 0.88 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20204927 0.88 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20204961 0.87 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