SCHEMBL12779502

SCHEMBL12779502

CC(=O)NC1Nc2cnc(-c3cnc(Cl)c(N(C(C)=O)S(=O)(=O)c4ccccc4)c3)nc2S1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.37
PIK3CG P48736 7/20 0.34
PIK3CA P42336 5/20 0.34
PIK3C3 Q8NEB9 4/20 0.34
PIK3CB P42338 4/20 0.34
KMT2A Q03164 4/20 0.33
AKT1 P31749 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.32
PI4KA P42356 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PIK3R1 P27986 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
SCHEMBL7991464 0.74 AKT1 (0.48) PIK3CDPIK3CGPIK3CAPIK3C3PIK3CB
SCHEMBL7998274 0.66 AKT1 (0.49) PIK3CDPIK3CGPIK3CAPIK3C3PIK3CB
SCHEMBL12515117 0.65 PIK3C3 (0.47) PIK3CDPIK3CGPIK3CAPIK3C3PIK3CB
SCHEMBL5147605 0.55 KMT2A (0.93) KMT2ALMNAMEN1USP2MAPT
SCHEMBL28669004 0.55 KMT2A (0.63) KMT2ALMNAMEN1USP2MAPT
SCHEMBL4144446 0.55 ADORA3 (0.48) KMT2ALMNAMEN1MAPTALOX15
SCHEMBL2802003 0.54 KMT2A (0.54) KMT2ALMNAMEN1USP2MAPT
SCHEMBL4132373 0.54 ADORA3 (0.47) KMT2ALMNAMEN1MAPTNPSR1
SCHEMBL12274035 0.53 PIK3CD (0.62) PIK3CDPIK3C3KMT2AMEN1
SCHEMBL1558035 0.52 CYP3A4 (0.48) PIK3CDPIK3CGPIK3CAPIK3CBKMT2A

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-2311842-A2 PI3K/M TOR inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP disclosed