SCHEMBL20205073

SCHEMBL20205073

Nc1ccc(Nc2nccc(C(=O)Nc3cncnc3OCC(F)(F)F)n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 20/20 0.83
GSK3B P49841 20/20 0.83
JAK2 O60674 2/20 0.50
PIM1 P11309 2/20 0.50
CDK2 P24941 2/20 0.50
CDK5 Q00535 2/20 0.50
PRKCQ Q04759 2/20 0.50
AURKB Q96GD4 2/20 0.50
TYK2 P29597 1/20 0.50
SYK P43405 1/20 0.50
MAPT P10636 2/20 0.45
IGF1R P08069 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
JAK1 P23458 1/20 0.45
BTK Q06187 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL20205036 0.92 GSK3A (0.84) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20204989 0.92 GSK3A (0.84) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20205072 0.91 GSK3A (0.83) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20190158 0.91 GSK3A (1.00) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20204988 0.89 GSK3A (0.80) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20204933 0.89 GSK3A (0.80) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20204926 0.88 GSK3A (1.00) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20189954 0.88 GSK3A (0.77) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20205077 0.87 GSK3B (0.84) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL21461688 0.84 GSK3A (0.72) 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
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed