SCHEMBL2946341

SCHEMBL2946341

COc1cc(C2CCN(CCCS(=O)(=O)N3CCOCC3)CC2)ccc1-n1cnc2c(N)nc(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.39
PIK3R1 P27986 9/20 0.39
PIK3CA P42336 9/20 0.39
PIK3CB P42338 8/20 0.39
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
TTK P33981 1/20 0.36
KCNH2 Q12809 1/20 0.36
EGFR P00533 2/20 0.35
ENPP2 Q13822 1/20 0.35
IKBKB O14920 1/20 0.33
PDPK1 O15530 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2948407 0.97 PIK3CD (0.40) PIK3CDPIK3R1PIK3CAPIK3CBTLR9
SCHEMBL2953492 0.85 TTK (0.47) PIK3CDPIK3R1PIK3CAPIK3CBTTK
SCHEMBL2956345 0.81 PDE4B (0.42) TTKEGFR
SCHEMBL2946224 0.81 CDK1 (0.40) TLR9TLR7KCNH2
SCHEMBL2946339 0.80 CARM1 (0.41) PIK3CDPIK3R1PIK3CAPIK3CBTLR9
SCHEMBL2948404 0.77 CARM1 (0.39) PIK3CDPIK3R1PIK3CAPIK3CBTLR9
SCHEMBL2946285 0.75 PDE4B (0.46) PIK3CDPIK3R1PIK3CAPIK3CBALDH1A1
SCHEMBL2950527 0.74 ADORA2A (0.42)
SCHEMBL2952950 0.72 DHFR (0.43) PIK3CATTK
SCHEMBL2953119 0.70 TTK (0.43) TTKEGFR

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