SCHEMBL13037

SCHEMBL13037

O=C(O)c1nn(-c2cccc(NC(=O)N3CCOCC3)c2)c2c1C[S+]([O-])c1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.59
PIK3R2 O00459 17/20 0.59
PIK3CA P42336 17/20 0.59
PIK3CB P42338 17/20 0.59
PIK3CG P48736 17/20 0.59
PIK3R5 Q8WYR1 17/20 0.59
PIK3R3 Q92569 17/20 0.59
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL13194 0.89 PIK3CD (0.54) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13078 0.82 PIK3CD (0.53) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13142 0.82 PIK3CD (0.62) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13251 0.82 PIK3CD (0.66) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276125 0.81 PIK3CD (0.87) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13410 0.80 PIK3CD (0.66) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13038 0.79 CYP1A2 (0.43) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082742 0.79 PIK3CD (0.64) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082790 0.77 PIK3CD (0.68) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082814 0.77 PIK3CD (0.68) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed