SCHEMBL9970800

SCHEMBL9970800

Nc1cnnc(-c2n[nH]c3ncc(F)cc23)n1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CD O00329 2/20 0.30
SRC P12931 2/20 0.30
PRKACA P17612 2/20 0.30
FLT3 P36888 2/20 0.30
GSK3A P49840 2/20 0.30
GSK3B P49841 2/20 0.30
PIK3CB P42338 1/20 0.30
JAK2 O60674 1/20 0.30
ROCK2 O75116 1/20 0.30
KDR P35968 1/20 0.30
PLK1 P53350 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL9977698 0.77 PIK3CG (0.35) PIK3CGPIK3CAPIK3CDSRCPRKACA
SCHEMBL9977736 0.75 GSK3A (0.35) PIK3CGPIK3CAPIK3CDSRCPRKACA
SCHEMBL15401556 0.73 GSK3A (0.51) GSK3AGSK3B
SCHEMBL175432 0.72 RET (0.38) GSK3AGSK3BJAK2
SCHEMBL30440210 0.72 RET (0.38) GSK3AGSK3BJAK2
SCHEMBL19249457 0.72 CSNK1D (0.37) PRKACAFLT3GSK3AGSK3BJAK2
SCHEMBL17403252 0.71 GSK3A (0.33) PIK3CGPIK3CAPIK3CDSRCPRKACA
SCHEMBL15400920 0.71 GSK3A (0.43) SRCFLT3GSK3AGSK3BJAK2
SCHEMBL15400921 0.71 GSK3A (0.43) SRCFLT3GSK3AGSK3BJAK2
SCHEMBL21345178 0.70 PIK3CG (0.33) PIK3CGPIK3CAPIK3CDSRCPRKACA

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