SCHEMBL9954693

SCHEMBL9954693

Nc1nc2ccc(-c3cncc(C(=O)N4CCOCC4)c3)cc2c(=O)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
PI4KA P42356 7/20 0.45
PIK3CG P48736 4/20 0.45
HPGD P15428 3/20 0.43
JAK2 O60674 1/20 0.43
CTSA P10619 1/20 0.42
CYP11B2 P19099 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ATR Q13535 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PLA2G1B P04054 2/20 0.42
ATG4B Q9Y4P1 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
DUSP3 P51452 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9953679 0.83 PI4KA (0.51) PI4KAPIK3CGCYP11B2
SCHEMBL14247526 0.81 CYP11B2 (0.44) PIM1PIM3PIM2HPGDJAK2
SCHEMBL9954515 0.80 PI4KA (0.57) PI4KAPIK3CGCYP11B2ALDH1A1SMN1; SMN2
SCHEMBL10289377 0.79 PI4KA (0.49) PI4KAPIK3CG
SCHEMBL9954015 0.79 PI4KA (0.51) PI4KAPIK3CGJAK2
SCHEMBL9959815 0.79 XDH (0.56) PI4KAPIK3CG
SCHEMBL10288698 0.78 PI4KA (0.59) PI4KAPIK3CG
SCHEMBL9952593 0.77 PI4KA (0.47) PI4KAPIK3CGCYP11B2
SCHEMBL10289054 0.76 PI4KA (0.51) PI4KAPIK3CGALDH1A1CYP1A2
SCHEMBL9953028 0.76 PI4KA (0.50) 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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed