SCHEMBL18123071

SCHEMBL18123071

Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ PIK3CD O00329 12/20 0.49
▸ PIK3CB P42338 12/20 0.49
▸ PIK3CG P48736 12/20 0.49
▸ MTOR P42345 4/20 0.49
▸ FEN1 P39748 5/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ ALOX5AP P20292 4/20 0.47
▸ PIK3C3 Q8NEB9 4/20 0.45
▸ PRF1 P14222 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
SCHEMBL25060795 0.91 ALOX5AP (0.50) MAPK1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL25060659 0.91 ALOX5AP (0.50) MAPK1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL12078765 0.90 KCNH2 (0.59) MAPK1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL25060668 0.89 MAPK1 (0.44) MAPK1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL18112932 0.88 KCNH2 (0.55) MAPK1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL12495977 0.88 MAPK1 (0.53) MAPK1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL22580810 0.87 MAPK1 (0.50) MAPK1FEN1ALOX5APPRF1
SCHEMBL18112912 0.87 MAPK1 (0.52) MAPK1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL12495639 0.87 KCNH2 (0.55) MAPK1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL22580839 0.86 FEN1 (0.48) MAPK1PIK3CDFEN1ALOX5APPRF1

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-2016161145-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-06 — — WO disclosed
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