SCHEMBL12823

SCHEMBL12823

Cn1cc(-n2nc(C(=O)O)c3c2-c2ccsc2[S+]([O-])C3)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.48
PIK3R2 O00459 3/20 0.48
PIK3CA P42336 3/20 0.48
PIK3CB P42338 3/20 0.48
PIK3CG P48736 3/20 0.48
PIK3R5 Q8WYR1 3/20 0.48
PIK3R3 Q92569 3/20 0.48
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL13307 0.87 PIK3CD (0.44) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL14739 0.86 PIK3CD (0.68) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276672 0.78 PIK3CD (0.75) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13006 0.69 PIK3CD (0.74) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13190 0.67 PIK3CD (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13038 0.67 CYP1A2 (0.43) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12276744 0.66 PIK3CD (0.68) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082736 0.66 CYP1A2 (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12858 0.65 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082687 0.61 PIK3CD (0.39) 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