SCHEMBL9967244

SCHEMBL9967244

O=C(O)[C@@H]1C2CCC(CC2)C1Nc1cc(C(F)(F)F)cc(-c2c[nH]c3ncc(F)cc23)n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61

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
SCHEMBL9967100 0.86 GSK3A (0.66) GSK3AGSK3B
SCHEMBL9967077 0.86 GSK3A (0.66) GSK3AGSK3B
SCHEMBL9967578 0.86 GSK3A (0.44) GSK3AGSK3B
SCHEMBL18966202 0.85 GSK3A (0.61) GSK3AGSK3B
SCHEMBL18966250 0.85 GSK3A (0.61) GSK3AGSK3B
SCHEMBL18966194 0.83 GSK3A (0.59) GSK3AGSK3B
SCHEMBL18966207 0.82 GSK3A (0.60) GSK3AGSK3B
SCHEMBL18966158 0.81 GSK3A (0.67) GSK3AGSK3B
SCHEMBL30321224 0.81 GSK3A (0.67) GSK3AGSK3B
SCHEMBL30321254 0.80 GSK3A (0.66) 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