SCHEMBL29939002

SCHEMBL29939002

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 20/20 1.00
GSK3B P49841 20/20 1.00
MAPT P10636 1/20 0.78
JAK2 O60674 1/20 0.74
PIM1 P11309 1/20 0.74
CDK2 P24941 1/20 0.74
TYK2 P29597 1/20 0.74
SYK P43405 1/20 0.74
CDK5 Q00535 1/20 0.74
PRKCQ Q04759 1/20 0.74
AURKB Q96GD4 1/20 0.74

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
SCHEMBL20204917 1.00 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20204961 0.93 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL29939411 0.93 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20204931 0.92 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20205017 0.91 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL29939491 0.91 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20190002 0.91 GSK3A (0.92) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20205025 0.90 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL29939307 0.90 GSK3A (1.00) GSK3AGSK3BMAPTJAK2PIM1
SCHEMBL20189630 0.88 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