SCHEMBL28911752

SCHEMBL28911752

O=C(Nc1cncnc1OC(F)C(F)F)c1ccnc(NCC2CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 15/20 0.49
GSK3B P49841 14/20 0.49
VCP P55072 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.37
JAK2 O60674 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37
TYK2 P29597 1/20 0.37
SYK P43405 1/20 0.37
CDK5 Q00535 1/20 0.37
PRKCQ Q04759 1/20 0.37
AURKB Q96GD4 1/20 0.37
KCNH2 Q12809 1/20 0.36
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL28911703 0.96 GSK3A (0.47) GSK3AGSK3BVCPIRAK4JAK2
SCHEMBL28911737 0.94 GSK3A (0.46) GSK3AGSK3BIRAK4PIM1
SCHEMBL28911730 0.87 GSK3A (0.49) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20205226 0.84 GSK3B (0.68) GSK3AGSK3BVCPIRAK4JAK2
SCHEMBL28911751 0.84 GSK3A (0.51) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL28911715 0.82 GSK3A (0.46) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20205067 0.81 GSK3A (0.66) GSK3AGSK3BVCPIRAK4JAK2
SCHEMBL28911768 0.81 GSK3B (0.46) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL28911794 0.80 GSK3A (0.70) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL28911698 0.80 GSK3A (0.47) GSK3AGSK3BJAK2PIM1CDK2

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