SCHEMBL9967100

SCHEMBL9967100

O=C(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1cncc(-c2c[nH]c3ncc(F)cc23)n1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.66
GSK3B P49841 1/20 0.66

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
SCHEMBL9967077 1.00 GSK3A (0.66) GSK3AGSK3B
SCHEMBL9967098 0.92 GSK3A (0.56) GSK3AGSK3B
SCHEMBL9967084 0.92 GSK3A (0.56) GSK3AGSK3B
SCHEMBL9967079 0.92 GSK3A (0.56) GSK3AGSK3B
SCHEMBL9967244 0.86 GSK3A (0.61) GSK3AGSK3B
SCHEMBL9967210 0.85 GSK3A (0.69) GSK3AGSK3B
SCHEMBL9967082 0.85 GSK3A (0.69) GSK3AGSK3B
SCHEMBL9967075 0.85 GSK3A (0.69) GSK3AGSK3B
SCHEMBL9970838 0.84 GSK3A (0.49) GSK3AGSK3B
SCHEMBL9970844 0.84 GSK3A (0.49) 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-2012083122-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-06-21 WO disclosed