SCHEMBL8099679

SCHEMBL8099679

CCNC(=S)Nc1ccc(-c2nc(N)cc(CS(C)(=O)=O)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.52
PIK3CA P42336 6/20 0.52
MTOR P42345 4/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
JAK1 P23458 1/20 0.39
ALOX12 P18054 1/20 0.38

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
SCHEMBL8214218 0.88 PIK3CA (0.66) PIK3CDPIK3CAMTOR
SCHEMBL8093668 0.88 POLB (0.46) PIK3CDPIK3CAMTORKDM4EMAPT
SCHEMBL1755648 0.87 PIK3CA (0.55) PIK3CDPIK3CAMTORKDM4EMAPT
SCHEMBL8086866 0.85 MAPT (0.44) PIK3CDPIK3CAMTORKDM4EMAPT
SCHEMBL1755652 0.83 PIK3CA (0.48) PIK3CDPIK3CAMTORKDM4EMAPT
SCHEMBL8101524 0.83 MEN1 (0.54) PIK3CDPIK3CAMTORKDM4EMAPT
SCHEMBL11925797 0.82 PIK3CA (0.49) PIK3CDPIK3CAMTORKDM4EMAPT
SCHEMBL8215121 0.81 PIK3CA (0.56) PIK3CDPIK3CAMTORMAPTRAB9A
SCHEMBL8101525 0.81 TP53 (0.51) PIK3CDPIK3CAMTORKDM4EMAPT
SCHEMBL8093349 0.81 PIK3CD (0.48) PIK3CDPIK3CAMTORKDM4EMAPT

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-2009007750-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2009-01-15 WO disclosed