SCHEMBL14282949

SCHEMBL14282949

Nc1cc(-c2ccnc(-c3cnc(N4CCCOCC4)nc3)c2)[nH]c1C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.39
PIK3CD O00329 2/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CB P42338 2/20 0.39
MYLK4 Q86YV6 2/20 0.35
STK17A Q9UEE5 2/20 0.35
CDC7 O00311 1/20 0.35
MAP3K12 Q12852 3/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
MAPT P10636 1/20 0.34
TBK1 Q9UHD2 2/20 0.34
FLT3 P36888 1/20 0.34
MTOR P42345 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
SCHEMBL13408206 0.87 TBK1 (0.42) TBK1
SCHEMBL14283774 0.85 PIK3CA (0.41) PIK3CAPIK3CDPIK3R1PIK3CBMYLK4
SCHEMBL3610963 0.83 TBK1 (0.44) TBK1
SCHEMBL14283752 0.77 PIK3CA (0.39) PIK3CAPIK3CDPIK3R1PIK3CBMAP3K12
SCHEMBL13408194 0.75 TBK1 (0.41) PIK3CAPIK3CDPIK3R1PIK3CBMYLK4
SCHEMBL13442016 0.75 MYLK4 (0.36) PIK3CAPIK3CDPIK3R1PIK3CBMYLK4
SCHEMBL14282926 0.75 MAPT (0.39) MYLK4STK17ACDC7FEN1MAPKAPK2
SCHEMBL14283797 0.74 PIK3CA (0.39) PIK3CAPIK3CDPIK3R1PIK3CBMYLK4
SCHEMBL13408186 0.71 CDC7 (0.43) PIK3CAPIK3CDPIK3R1PIK3CBMYLK4
SCHEMBL3610717 0.71 PRKAB2 (0.40) PIK3CAPIK3CDPIK3R1PIK3CBALOX5AP

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-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO disclosed