SCHEMBL10143799

SCHEMBL10143799

COc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.76
MTOR P42345 10/20 0.76
SLC2A1 P11166 2/20 0.58
SLC2A2 P11168 2/20 0.58
SLC2A3 P11169 2/20 0.58
SIRT1 Q96EB6 1/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PIK3CD O00329 1/20 0.52
PIK3C2B O00750 1/20 0.52
PIK3CB P42338 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.50
CFTR P13569 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
NTSR1 P30989 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL10143802 0.90 PIK3CA (0.60) PIK3CAMTORSLC2A1SLC2A2SLC2A3
SCHEMBL3986325 0.86 MTOR (1.00) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL4996109 0.84 MTOR (0.82) PIK3CAMTOR
SCHEMBL10143801 0.83 MERTK (0.68) PIK3CAMTORSLC2A1SLC2A2SLC2A3
SCHEMBL4988955 0.82 PIK3CA (1.00) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL4996533 0.81 PIK3CA (0.86) PIK3CAMTOR
SCHEMBL3918530 0.81 PIK3CA (1.00) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL4992629 0.80 PIK3CA (0.83) PIK3CAMTORPIK3CDPIK3CB
SCHEMBL4991670 0.80 PIK3CA (0.78) PIK3CAMTORPIK3CD
SCHEMBL3992571 0.79 MTOR (0.75) PIK3CAMTORALDH1A1HPGDHSD17B10

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 WO disclosed