SCHEMBL9980404

SCHEMBL9980404

NS(=O)(=O)c1ccc(N2CCOCC2)c(CNc2ncnc3[nH]nc(-c4ccco4)c23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
EGFR P00533 2/20 0.39
BRAF P15056 5/20 0.39
TNNI3K Q59H18 4/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
ALOX15 P16050 2/20 0.38
CASP1 P29466 2/20 0.38
BLM P54132 2/20 0.38
MCL1 Q07820 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 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
SCHEMBL9980448 0.84 LRRK2 (0.42) STK4STK3EGFRBRAFTNNI3K
SCHEMBL9980383 0.81 LMNA (0.41) MAPTMAPK1THRBADORA2AADORA2B
SCHEMBL9980405 0.79 CCNB2 (0.34) MAPTTHRBADORA2AADORA2BADORA1
SCHEMBL12066374 0.78 TNNI3K (0.64) STK4STK3BRAFTNNI3KALDH1A1
SCHEMBL9980436 0.74 TNNI3K (0.37) EGFRBRAFTNNI3KKMT2A
SCHEMBL9980486 0.73 FFAR2 (0.33) MEN1MAPTKMT2AMAPK1ALDH1A1
SCHEMBL9980493 0.73 TNNI3K (0.36) EGFRBRAFTNNI3KALDH1A1LRRK2
SCHEMBL1809126 0.73 SRC (0.43) EGFRBRAFTNNI3KKMT2AGAA
SCHEMBL9980424 0.71 TNNI3K (0.35) EGFRBRAFTNNI3KLRRK2LMNA
SCHEMBL9980423 0.68 SRC (0.41) EGFRBRAFTNNI3KALDH1A1SRC

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-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed