SCHEMBL9970866

SCHEMBL9970866

COC(=O)[C@H]1C2CCC(CC2)C1Nc1nc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ncc(F)cc23)c(C#N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
JAK2 O60674 1/20 0.37
SRC P12931 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL9970850 0.94 GSK3A (0.43) GSK3AGSK3B
SCHEMBL9970854 0.94 GSK3A (0.43) GSK3AGSK3B
SCHEMBL9941696 0.91 GSK3A (0.41) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL9970822 0.91 GSK3A (0.41) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL15401009 0.91 GSK3A (0.41) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL15401717 0.88 GSK3A (0.33) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL15401716 0.88 GSK3A (0.33) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL15401603 0.88 GSK3A (0.34) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL15401604 0.88 GSK3A (0.34) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL9940843 0.88 GSK3A (0.49) 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