SCHEMBL2948407

SCHEMBL2948407

COc1cc(C2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)ccc1-n1cnc2c(N)nc(N)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.40
PIK3R1 P27986 6/20 0.40
PIK3CA P42336 6/20 0.40
PIK3CB P42338 6/20 0.40
TTK P33981 1/20 0.37
ENPP2 Q13822 1/20 0.37
IKBKB O14920 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PDPK1 O15530 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
P4HB P07237 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2946341 0.97 PIK3CD (0.39) PIK3CDPIK3R1PIK3CAPIK3CBTTK
SCHEMBL2953492 0.87 TTK (0.47) PIK3CDPIK3R1PIK3CAPIK3CBTTK
SCHEMBL2956345 0.83 PDE4B (0.42) TTK
SCHEMBL2948404 0.80 CARM1 (0.39) PIK3CDPIK3R1PIK3CAPIK3CBTTK
SCHEMBL2946224 0.79 CDK1 (0.40) TLR9TLR7KCNH2
SCHEMBL2946339 0.77 CARM1 (0.41) PIK3CDPIK3R1PIK3CAPIK3CBTTK
SCHEMBL2946285 0.75 PDE4B (0.46) PIK3CDPIK3R1PIK3CAPIK3CBALDH1A1
SCHEMBL2950527 0.74 ADORA2A (0.42)
SCHEMBL2952950 0.72 DHFR (0.43) PIK3CATTKMEN1KMT2A
SCHEMBL2953119 0.70 TTK (0.43) TTK

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed