SCHEMBL17022151

SCHEMBL17022151

COc1ncc(Br)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.58
MTOR P42345 3/20 0.58
KDM1A O60341 2/20 0.50
S100A9 P06702 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
PIK3CG P48736 1/20 0.47
SLC40A1 Q9NP59 2/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
PIK3R1 P27986 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
XBP1 P17861 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL15556197 0.86 MTOR (0.55) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL28549695 0.85 PIK3CG (0.50) PIK3CAMTORS100A9MEN1KMT2A
SCHEMBL16551868 0.85 PIK3CA (0.55) PIK3CAMTORMEN1KMT2APIK3CG
SCHEMBL17022160 0.84 LMNA (0.50) PIK3CAMTORS100A9KMT2APIK3CG
Ammonia Solution, Strong SCHEMBL28564473 0.84 PIK3CG (0.49) PIK3CAMTORS100A9MEN1KMT2A
SCHEMBL22447546 0.84 CCR4 (0.59) PIK3CAMTORS100A9PIK3CGLMNA
SCHEMBL15648432 0.84 PIK3CG (0.49) PIK3CAMTORS100A9PIK3CGPIK3R1
SCHEMBL358926 0.84 PIK3CG (0.63) PIK3CAMTORS100A9PIK3CGSLC40A1
SCHEMBL21513750 0.83 CACNA1B (0.56) PIK3CAMTORKDM1ASLC40A1LMNA
SCHEMBL29969883 0.83 CACNA1B (0.56) PIK3CAMTORKDM1ASLC40A1LMNA

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-2015120737-A1 SUBSTITUTED PYRIDOPYRIMIDINE COMPOUNDS, PREPARATION METHODS THEREFOR AND USES THEREOF 北大方正集团有限公司 2015-08-20 WO disclosed