SCHEMBL1134587

SCHEMBL1134587

CC(C)(C)OC(=O)NCCCC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
MAPT P10636 4/20 0.52
KCNH2 Q12809 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
PAX8 Q06710 1/20 0.43
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 2/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1134585 0.97 MAPT (0.56) SYKMAPTKCNH2L3MBTL1POLB
SCHEMBL1134630 0.87 KCNH2 (0.62) SYKMAPTKCNH2L3MBTL1POLB
SCHEMBL1428409 0.85 KCNH2 (0.54) MAPTKCNH2L3MBTL1POLBMAPK1
SCHEMBL1134515 0.85 KCNH2 (0.65) SYKMAPTKCNH2L3MBTL1MEN1
SCHEMBL1428391 0.84 KCNH2 (0.56) MAPTKCNH2
SCHEMBL20358408 0.83 SYK (0.72) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL20365967 0.83 SYK (0.72) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL20364082 0.81 SYK (0.67) SYKMAPTL3MBTL1POLBMAPK1
SCHEMBL1134520 0.80 SCNN1A (0.36) SYKKCNH2
SCHEMBL1134522 0.79 TDP1 (0.40) MAPTKCNH2POLBMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300010-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-03-30 EP disclosed
EP-2285785-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES Novartis AG (CH) 2011-02-23 EP disclosed
WO-2009150137-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 WO disclosed
WO-2009138378-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2009-11-19 WO disclosed