SCHEMBL9942802

SCHEMBL9942802

N#Cc1cc(F)c(NC2C3CCC(CC3)C2C(=O)O)cc1-c1c[nH]c2ncc(F)cc12

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62

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
SCHEMBL9941803 0.92 GSK3A (0.53) GSK3AGSK3B
SCHEMBL9967207 0.92 GSK3A (0.53) GSK3AGSK3B
SCHEMBL9941693 0.86 GSK3A (0.49) GSK3AGSK3B
SCHEMBL15401344 0.86 GSK3A (0.49) GSK3AGSK3B
SCHEMBL9970817 0.86 GSK3A (0.49) GSK3AGSK3B
SCHEMBL9941874 0.85 GSK3A (0.69) GSK3AGSK3B
SCHEMBL9967524 0.85 GSK3A (0.69) GSK3AGSK3B
SCHEMBL26018560 0.80 GSK3A (0.60) GSK3AGSK3B
SCHEMBL26018562 0.79 GSK3A (0.59) GSK3AGSK3B
SCHEMBL15402136 0.79 GSK3A (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651938-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2013-10-23 EP disclosed
WO-2012083122-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-06-21 WO disclosed