SCHEMBL5339653

SCHEMBL5339653

C#Cc1ccccc1NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TTK P33981 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
PLA2G7 Q13093 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
RAB9A P51151 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL29931186 0.83 GAA (0.41) LMNAPOLBBRD9RAB9ANPC1
SCHEMBL8886501 0.83 HTT (0.43) LMNAPOLBBRD9RAB9AMEN1
SCHEMBL24110547 0.82 LMNA (0.48) LMNAPOLBTTKBRD9PLA2G7
SCHEMBL20315227 0.81 RAB9A (0.45) LMNAPOLBBRD9PDK1PDK2
SCHEMBL7043141 0.81 LMNA (0.45) LMNAPOLBTTKBRD9PLA2G7
SCHEMBL5336879 0.80 LMNA (0.33) LMNAPOLBBRD9RAB9ARXFP1
SCHEMBL13785635 0.78 CTSK (0.41) LMNAPDK1PDK2PDK3PDK4
SCHEMBL3785113 0.78 CTSK (0.41) LMNAPDK1PDK2PDK3PDK4
SCHEMBL3785111 0.78 CTSK (0.41) LMNAPDK1PDK2PDK3PDK4
SCHEMBL5339650 0.78 PTPN11 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824468-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Tel Aviv University Future Technology Development L.P. (IL) 2007-08-29 EP disclosed
WO-2006054298-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2006-05-26 WO disclosed