SCHEMBL4403446

SCHEMBL4403446

COc1ccc(-c2cccc3[nH]c(OC(=O)NC4CCN(C[C@H](C)N5CC[C@H](O)[C@@H](C)C5)CC4)cc23)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.37
WNT1 P04628 7/20 0.37
GSK3B P49841 2/20 0.36
SLC2A1 P11166 2/20 0.34
TLR9 Q9NR96 6/20 0.34
TLR8 Q9NR97 6/20 0.34
TLR7 Q9NYK1 6/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL914089 0.89 SLC2A1 (0.43) DYRK1AWNT1GSK3BSLC2A1TLR9
SCHEMBL4410357 0.89 GSK3B (0.40) DYRK1AWNT1GSK3BTLR9PDCD1
SCHEMBL4403763 0.83 TLR9 (0.42) DYRK1AWNT1GSK3BTLR9PDCD1
SCHEMBL4396957 0.81 TLR9 (0.42) DYRK1AWNT1GSK3BTLR9CD274
SCHEMBL4541737 0.81 SLC2A1 (0.39) DYRK1AWNT1SLC2A1TLR9TLR8
SCHEMBL4405858 0.81 PARP1 (0.34) DYRK1AWNT1TLR9TLR8TLR7
SCHEMBL4396942 0.81 PARP1 (0.34) DYRK1AWNT1TLR9TLR8TLR7
SCHEMBL4410335 0.79 MCHR1 (0.33) DYRK1ASLC2A1TLR9TLR8TLR7
SCHEMBL4550682 0.79 GSK3B (0.39) DYRK1AWNT1GSK3BTLR9CD274
SCHEMBL4403425 0.78 DYRK1A (0.37) DYRK1AWNT1SLC2A1TLR9TLR8

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
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed