SCHEMBL1755697

SCHEMBL1755697

CNC(=S)Nc1ccc(-c2nc(NCCO)cc(C(C)(C)S(=O)(=O)c3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.44
PIK3CD O00329 3/20 0.43
PIK3CA P42336 3/20 0.43
CYP1A2 P05177 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL1755647 0.88 PIK3CD (0.45) PTGS2PIK3CDPIK3CACYP1A2GPR119
SCHEMBL11925494 0.82 PTGS2 (0.43) PTGS2PIK3CDPIK3CACYP1A2GPR119
SCHEMBL8091771 0.81 PIK3CD (0.51) PIK3CDPIK3CA
SCHEMBL11924823 0.79 PTGS2 (0.43) PTGS2
SCHEMBL11926064 0.78 PIK3CD (0.46) PTGS2PIK3CDPIK3CACYP1A2GPR119
SCHEMBL11925445 0.74 PIK3CA (0.42) PTGS2PIK3CDPIK3CACYP1A2GPR119
SCHEMBL737776 0.73 PIK3CA (0.67) PIK3CDPIK3CA
SCHEMBL1755671 0.73 ALDH1A1 (0.39) PTGS2PIK3CDPIK3CA
SCHEMBL11925541 0.72 PTGS2 (0.43) PTGS2PIK3CDPIK3CACYP1A2GPR119
SCHEMBL11926045 0.72 MEN1 (0.52) PIK3CACYP1A2GPR119

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
EP-2176238-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2012-04-18 EP disclosed