SCHEMBL3717838

SCHEMBL3717838

CN(C)S(=O)(=O)c1cncc(-c2ccc3nc(N)sc3c2)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 16/20 0.76
PI4KB Q9UBF8 16/20 0.76
PIK3CA P42336 15/20 0.76
PIK3CD O00329 14/20 0.76
PIK3CB P42338 13/20 0.76
PIK3CG P48736 12/20 0.76
PIP5K1C O60331 6/20 0.55
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.48
FTO Q9C0B1 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
SCHEMBL3710857 0.86 PI4KA (1.00) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL13188896 0.86 PI4KA (0.59) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL13188987 0.84 PIK3CG (0.54) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL9722822 0.83 ALDH1A1 (0.69) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL3719312 0.81 PIK3CD (0.71) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL3718321 0.80 PIK3CG (0.68) PIK3CAPIK3CGHSD17B10
SCHEMBL3712762 0.80 PIK3CG (0.59) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL3707973 0.77 PI4KA (0.70) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL12543471 0.77 PI4KA (0.66) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL3713842 0.75 PI4KA (0.58) PI4KAPI4KBPIK3CAPIK3CDPIK3CB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed