SCHEMBL17022161

SCHEMBL17022161

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
ERAP1 Q9NZ08 1/20 0.43
CCR9 P51686 1/20 0.42
SLC22A12 Q96S37 2/20 0.41
CCR2 P41597 4/20 0.40
MTOR P42345 3/20 0.40
PIK3CA P42336 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
PGAM1 P18669 1/20 0.39
HTT P42858 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
GHSR Q92847 1/20 0.38
HSPD1 P10809 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL22447720 0.90 ALPL (0.48) ALPLLMNATHRBMTORPIK3CA
SCHEMBL15462779 0.87 PIK3CA (0.51) ALPLLMNASLC22A12MTORPIK3CA
SCHEMBL15559069 0.86 ALPL (0.52) ALPLMTORPIK3CAPIK3CDPIK3R1
SCHEMBL17022159 0.85 SLC22A12 (0.60) ALPLSLC22A12PIK3CAKMT2A
SCHEMBL22508714 0.84 ALPL (0.50) ALPLLMNATP53CCR9CCR2
SCHEMBL789462 0.83 ALPL (0.49) ALPLLMNATP53KMT2AHTT
SCHEMBL15459550 0.83 ALPL (0.51) ALPLLMNATP53MTORPIK3CA
SCHEMBL15462778 0.83 ALPL (0.51) ALPLLMNAMTORPIK3CAKMT2A
SCHEMBL15650005 0.82 ALPL (0.50) ALPLMTORPIK3CAPIK3CDPIK3R1
SCHEMBL790824 0.82 ALPL (0.56) ALPLMTORPIK3CAPIK3CDPIK3R1

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