SCHEMBL9977673

SCHEMBL9977673

O=C(O)[C@@H]1C2CCC(CC2)C1Nc1nc(-c2n[nH]c3ncc(F)cc23)ncc1F

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.72
GSK3B P49841 2/20 0.72
FLT3 P36888 2/20 0.60
JAK2 O60674 1/20 0.60
SRC P12931 1/20 0.60

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
SCHEMBL16199091 1.00 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL16199033 1.00 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL16199093 1.00 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL9940696 1.00 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL16199081 1.00 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL15401192 0.99 GSK3A (0.70) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL15401189 0.99 GSK3A (0.70) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL9977789 0.97 GSK3A (0.68) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL16199107 0.97 GSK3A (0.68) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL9977662 0.97 GSK3A (0.68) GSK3AGSK3BFLT3JAK2SRC

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
US-8871774-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
WO-2012083117-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 WO disclosed