SCHEMBL9970910

SCHEMBL9970910

O=C(O)[C@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ncc(F)cc23)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL15400593 1.00 GSK3A (0.46) GSK3AGSK3B
SCHEMBL15400835 0.87 GSK3A (0.54) GSK3AGSK3B
SCHEMBL9941459 0.85 GSK3A (0.39) GSK3AGSK3B
SCHEMBL9970850 0.85 GSK3A (0.43) GSK3AGSK3B
SCHEMBL9970854 0.85 GSK3A (0.43) GSK3AGSK3B
SCHEMBL9940672 0.84 GSK3A (0.47) GSK3AGSK3B
SCHEMBL22582288 0.84 GSK3A (0.45) GSK3AGSK3B
SCHEMBL9970822 0.83 GSK3A (0.41) GSK3AGSK3B
SCHEMBL9941696 0.83 GSK3A (0.41) GSK3AGSK3B
SCHEMBL15401009 0.83 GSK3A (0.41) 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