SCHEMBL12496007

SCHEMBL12496007

Cc1cc(-c2cnc(N)c(-c3ccc4c(c3)C(C)(C)CNC4=O)n2)ccc1S(=O)(=O)NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 10/20 0.43
▸ PIK3CA P42336 3/20 0.43
▸ PIK3CD O00329 9/20 0.41
▸ PIK3R2 O00459 1/20 0.41
▸ PIK3R1 P27986 1/20 0.41
▸ PIK3R3 Q92569 1/20 0.41
▸ PIK3CB P42338 8/20 0.39
▸ MTOR P42345 2/20 0.39
▸ ALOX5AP P20292 7/20 0.39
▸ FEN1 P39748 7/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ PIK3C3 Q8NEB9 2/20 0.37
▸ TYRO3 Q06418 1/20 0.36

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
SCHEMBL18937000 0.91 PIK3CG (0.42) PIK3CGPIK3CAPIK3CDPIK3R2PIK3R1
SCHEMBL12496252 0.89 KCNH2 (0.44) PIK3CGPIK3CAPIK3CDPIK3R2PIK3R1
SCHEMBL12495791 0.84 PIK3CG (0.43) PIK3CGPIK3CAPIK3CDPIK3R2PIK3R1
SCHEMBL12078128 0.80 KCNH2 (0.58) PIK3CGPIK3CDPIK3CBMTORKCNH2
SCHEMBL18936948 0.79 PIK3CG (0.43) PIK3CGPIK3CAPIK3CDPIK3R2PIK3R1
SCHEMBL12495701 0.77 KCNH2 (0.46) PIK3CGPIK3CAPIK3CDPIK3R2PIK3R1
SCHEMBL12495821 0.76 KCNH2 (0.45) PIK3CGPIK3CAPIK3CDPIK3R2PIK3R1
SCHEMBL12495633 0.76 KCNH2 (0.39) KCNH2TYRO3
SCHEMBL12078764 0.74 PIK3CG (0.44) PIK3CGPIK3CAPIK3CDPIK3R2PIK3R1
SCHEMBL12090677 0.74 TYRO3 (0.34) ALOX5APFEN1KCNH2TYRO3

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
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 — — EP disclosed
EP-2681206-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2014-01-08 — — EP disclosed
WO-2012121992-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-09-13 — — WO disclosed
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