SCHEMBL789481

SCHEMBL789481

COc1ncc(-c2ccc3nc(N)c(-c4ccc(C(=O)N5CCOCC5)cc4)cc3c2)c(C)c1C1(F)C=C(F)C=CC1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.45
PIK3CG P48736 2/20 0.45
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
TYK2 P29597 3/20 0.38
JAK3 P52333 3/20 0.38
KCNH2 Q12809 2/20 0.38
LRRK2 Q5S007 7/20 0.36
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPK10 P53779 1/20 0.35
SOS1 Q07889 1/20 0.35
ABL1 P00519 1/20 0.35
PDE4B Q07343 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL789602 0.89 PI4KA (0.41) PI4KAPIK3CGJAK2JAK1TYK2
SCHEMBL789483 0.79 PI4KA (0.51) PI4KAPIK3CGJAK2JAK1TYK2
SCHEMBL789482 0.78 PIK3CG (0.65) PI4KAPIK3CGKCNH2
SCHEMBL10277103 0.77 PIK3CG (0.57) PI4KAPIK3CGKCNH2
SCHEMBL791064 0.73 PIK3CG (0.81) PI4KAPIK3CG
SCHEMBL789604 0.72 PI4KA (0.46) PI4KAPIK3CGJAK2JAK1TYK2
SCHEMBL791169 0.72 PIK3CG (0.47) PI4KAPIK3CGKCNH2
SCHEMBL789603 0.71 PIK3CG (0.66) PI4KAPIK3CG
SCHEMBL790455 0.69 PIK3CA (0.41) PI4KAPIK3CGJAK2JAK1TYK2
SCHEMBL789984 0.69 PI4KA (0.47) PI4KAPIK3CG

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed