SCHEMBL28960965

SCHEMBL28960965

O=C(Nc1cnccc1OC(F)C(F)F)c1ccnc(Nc2ccc(Cl)cc2F)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 19/20 0.54
GSK3B P49841 19/20 0.54
JAK2 O60674 2/20 0.46
PIM1 P11309 2/20 0.46
CDK2 P24941 2/20 0.46
CDK5 Q00535 2/20 0.46
PRKCQ Q04759 2/20 0.46
AURKB Q96GD4 2/20 0.46
TYK2 P29597 1/20 0.46
SYK P43405 1/20 0.46
NUDT1 P36639 1/20 0.43
IGF1R P08069 1/20 0.42
PDGFRB P09619 1/20 0.42
MAPT P10636 1/20 0.42
KIT P10721 1/20 0.42
JAK1 P23458 1/20 0.42
BTK Q06187 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL28911763 0.92 GSK3A (0.53) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL28911716 0.88 GSK3A (0.61) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL28911791 0.87 GSK3A (0.49) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL28911728 0.84 GSK3A (0.66) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20205081 0.84 GSK3B (0.71) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL28911767 0.83 GSK3A (0.69) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL28911720 0.83 GSK3A (0.56) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL28911746 0.82 GSK3A (0.52) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL28911727 0.81 GSK3A (0.61) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL28911699 0.81 GSK3A (0.51) 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