SCHEMBL790722

SCHEMBL790722

COc1ncc(Br)cc1NS(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.58
▸ MTOR P42345 4/20 0.58
▸ ACLY P53396 1/20 0.51
▸ PIK3CG P48736 2/20 0.51
▸ PI4KA P42356 1/20 0.51
▸ STAT3 P40763 1/20 0.48
▸ BRD1 O95696 3/20 0.47
▸ BRPF1 P55201 3/20 0.47
▸ BRPF3 Q9ULD4 3/20 0.47
▸ BRD9 Q9H8M2 2/20 0.47
▸ GLO1 Q04760 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ SLC22A12 Q96S37 2/20 0.45
▸ CCR2 P41597 1/20 0.45
▸ HSD11B1 P28845 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ S100A9 P06702 1/20 0.43
▸ IDO1 P14902 1/20 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
SCHEMBL16551868 0.85 PIK3CA (0.55) PIK3CAMTORPIK3CGGLO1MEN1
SCHEMBL22447546 0.84 CCR4 (0.59) PIK3CAMTORPIK3CGCCR2S100A9
SCHEMBL15648432 0.84 PIK3CG (0.49) PIK3CAMTORPIK3CGBRD4S100A9
SCHEMBL15556197 0.84 MTOR (0.55) PIK3CAMTORPIK3CG
SCHEMBL358926 0.84 PIK3CG (0.63) PIK3CAMTORPIK3CGPI4KAS100A9
SCHEMBL28549695 0.83 PIK3CG (0.50) PIK3CAMTORPIK3CGMEN1KMT2A
Ammonia Solution, Strong SCHEMBL28564473 0.81 PIK3CG (0.49) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL17022151 0.81 PIK3CA (0.58) PIK3CAMTORPIK3CGSLC22A12MEN1
SCHEMBL789641 0.81 MEN1 (0.52) PIK3CAPIK3CGMEN1KMT2AS100A9
SCHEMBL789512 0.81 KEAP1 (0.55) MEN1KMT2A

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 3 patents. 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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 — — WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 — — WO disclosed
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