SCHEMBL9970839

SCHEMBL9970839

COC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1cncc(-c2n[nH]c3ncc(F)cc23)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
JAK2 O60674 1/20 0.41
SRC P12931 1/20 0.41
FLT3 P36888 1/20 0.41
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL9970841 0.92 GSK3A (0.49) GSK3AGSK3B
SCHEMBL9970838 0.92 GSK3A (0.49) GSK3AGSK3B
SCHEMBL9970844 0.92 GSK3A (0.49) GSK3AGSK3B
SCHEMBL15401321 0.92 GSK3A (0.49) GSK3AGSK3B
SCHEMBL9967079 0.85 GSK3A (0.56) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL9967084 0.85 GSK3A (0.56) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL9967098 0.85 GSK3A (0.56) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL15400921 0.84 GSK3A (0.43) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL15400920 0.84 GSK3A (0.43) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL16199389 0.83 GSK3A (0.43) GSK3AGSK3BJAK2SRCFLT3

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-2012083121-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 WO disclosed