SCHEMBL19928495

SCHEMBL19928495

N#Cc1cc(F)c(NCCS(N)(=O)=O)nc1-c1c[nH]c2ncc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 11/20 0.41
GSK3B P49841 11/20 0.41
FLT3 P36888 9/20 0.41
PIK3CG P48736 8/20 0.41
JAK2 O60674 7/20 0.41
PLK1 P53350 6/20 0.41
PIK3CD O00329 5/20 0.41
PRKACA P17612 4/20 0.41
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
SRC P12931 4/20 0.41
KDR P35968 3/20 0.41
PIK3CA P42336 6/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PIK3CB P42338 2/20 0.33
SYK P43405 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL19928489 0.92 GSK3A (0.37) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL19928490 0.89 GSK3A (0.37) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL19928493 0.88 GSK3A (0.37) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL19928467 0.87 GSK3A (0.39) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL18682974 0.86 CHUK (0.41) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL18682895 0.86 GSK3A (0.35) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL18682823 0.85 GSK3A (0.40) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL18682897 0.84 GSK3A (0.35) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL14678103 0.82 FLT3 (0.37) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL14678104 0.82 FLT3 (0.37) GSK3AGSK3BFLT3PIK3CGJAK2

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
US-9908878-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-06 US disclosed