SCHEMBL9970843

SCHEMBL9970843

O=C(O)[C@@H]1C2CCC(CC2)C1Nc1nc(-c2n[nH]c3ncc(F)cc23)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58

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
SCHEMBL9970909 1.00 GSK3A (0.58) GSK3AGSK3B
SCHEMBL15401681 1.00 GSK3A (0.58) GSK3AGSK3B
SCHEMBL9970846 0.86 GSK3A (0.59) GSK3AGSK3B
SCHEMBL15401705 0.86 GSK3A (0.59) GSK3AGSK3B
SCHEMBL16199091 0.85 GSK3A (0.72) GSK3AGSK3B
SCHEMBL16199081 0.85 GSK3A (0.72) GSK3AGSK3B
SCHEMBL9940696 0.85 GSK3A (0.72) GSK3AGSK3B
SCHEMBL9977673 0.85 GSK3A (0.72) GSK3AGSK3B
SCHEMBL16199093 0.85 GSK3A (0.72) GSK3AGSK3B
SCHEMBL16199033 0.85 GSK3A (0.72) 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