SCHEMBL16629017

SCHEMBL16629017

CC(C)(C)NS(=O)(=O)c1cccc(-c2cnc(N)c(I)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.55
PIK3CD O00329 6/20 0.48
PIK3CG P48736 6/20 0.48
PIK3CA P42336 5/20 0.48
PIK3CB P42338 4/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATR Q13535 3/20 0.45
PRKDC P78527 1/20 0.45
ATM Q13315 1/20 0.45
ALOX5AP P20292 5/20 0.44
FEN1 P39748 5/20 0.44
TYRO3 Q06418 2/20 0.43

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
SCHEMBL15308590 0.87 ALOX5AP (0.56) JAK2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL17657856 0.87 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBATR
SCHEMBL17718285 0.86 JAK2 (0.52) JAK2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL17657874 0.84 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBATR
SCHEMBL17657923 0.81 BRD4 (0.49) PIK3CDPIK3CGPIK3CAPIK3CBKDM4E
SCHEMBL16628998 0.81 ATR (0.49) PIK3CDPIK3CGPIK3CAPIK3CBATR
SCHEMBL17657921 0.81 ALDH1A1 (0.50) PIK3CDPIK3CGPIK3CAPIK3CBKDM4E
SCHEMBL15306542 0.78 KDM4E (0.48) JAK2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL17718282 0.75 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBATR
SCHEMBL16628999 0.75 TYRO3 (0.69) JAK2PIK3CDPIK3CGPIK3CANPC1

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-2015051241-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 WO disclosed