SCHEMBL789602

SCHEMBL789602

COc1nc(C)c(-c2ccc3nc(N)c(-c4ccc(C(=O)N5CCOCC5)cc4)cc3c2)cc1C1(F)C=C(F)C=CC1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.41
PIK3CG P48736 2/20 0.41
KCNH2 Q12809 2/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.34
LIPC P11150 3/20 0.34
LIPG Q9Y5X9 3/20 0.34
GRM2 Q14416 1/20 0.34
MTOR P42345 1/20 0.33
SOS1 Q07889 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
LRRK2 Q5S007 1/20 0.33
SCD O00767 1/20 0.33
CA2 P00918 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
SCHEMBL789481 0.89 PI4KA (0.45) PI4KAPIK3CGKCNH2JAK2JAK1
SCHEMBL789604 0.78 PI4KA (0.46) PI4KAPIK3CGKCNH2JAK2JAK1
SCHEMBL789603 0.77 PIK3CG (0.66) PI4KAPIK3CGMTOR
SCHEMBL789483 0.72 PI4KA (0.51) PI4KAPIK3CGKCNH2JAK2JAK1
SCHEMBL789482 0.71 PIK3CG (0.65) PI4KAPIK3CGKCNH2MTOR
SCHEMBL791169 0.71 PIK3CG (0.47) PI4KAPIK3CGKCNH2MTOR
SCHEMBL10277103 0.70 PIK3CG (0.57) PI4KAPIK3CGKCNH2BRD4MTOR
SCHEMBL791064 0.70 PIK3CG (0.81) PI4KAPIK3CGMTOR
SCHEMBL790455 0.68 PIK3CA (0.41) PI4KAPIK3CGJAK2JAK1TYK2
SCHEMBL789984 0.68 PI4KA (0.47) PI4KAPIK3CGMTOR

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