SCHEMBL794385

SCHEMBL794385

Nc1c(S)ncnc1N1CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
KIT P10721 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
AKT1 P31749 5/20 0.39
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
BTK Q06187 2/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
EIF2AK2 P19525 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL794742 0.82 HTT (0.73) HTTKITKDM4EGAAAKT1
SCHEMBL655295 0.80 KIT (0.53) KITALDH1A1MAPTPIK3CA
SCHEMBL27622945 0.78 HTT (0.43) HTTKITKDM4EGAAAKT1
SCHEMBL793596 0.77 PI4KB (0.36)
SCHEMBL3884555 0.74 FLT3 (0.44) KITAKT1BTK
SCHEMBL23932500 0.72 MAPT (0.41) HTTKITKDM4EACHEBACE1
SCHEMBL7063580 0.72 KIT (0.47) HTTKITAKT1AKT2MAPT
SCHEMBL5278122 0.71 LMNA (0.67) HTTAKT1AKT2MAPT
SCHEMBL23932575 0.70 MAPT (0.40) HTTKITKDM4EACHEBACE1
SCHEMBL23932475 0.70 AKT1 (0.44) HTTKITKDM4EAKT1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP disclosed
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP disclosed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO disclosed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 WO disclosed