SCHEMBL9970817

SCHEMBL9970817

N#Cc1cc(F)c(NC2C3CCC(CC3)[C@@H]2C(=O)O)cc1-c1n[nH]c2ncc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49

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
SCHEMBL15401344 1.00 GSK3A (0.49) GSK3AGSK3B
SCHEMBL9941693 1.00 GSK3A (0.49) GSK3AGSK3B
SCHEMBL15402136 0.92 GSK3A (0.42) GSK3AGSK3B
SCHEMBL15402134 0.92 GSK3A (0.42) GSK3AGSK3B
SCHEMBL9970877 0.88 GSK3A (0.38) GSK3AGSK3B
SCHEMBL9970904 0.88 GSK3A (0.38) GSK3AGSK3B
SCHEMBL9942802 0.86 GSK3A (0.62) GSK3AGSK3B
SCHEMBL9970837 0.84 GSK3A (0.55) GSK3AGSK3B
SCHEMBL15401218 0.84 GSK3A (0.55) GSK3AGSK3B
SCHEMBL9970852 0.84 GSK3A (0.55) GSK3AGSK3B

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