SCHEMBL4403763

SCHEMBL4403763

COc1ccc(-c2cccc3[nH]c(OC(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.42
GSK3B P49841 2/20 0.41
ATM Q13315 1/20 0.38
DYRK1A Q13627 2/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CD274 Q9NZQ7 2/20 0.38
EGLN1 Q9GZT9 1/20 0.37
HTR7 P34969 1/20 0.37
HPGDS O60760 2/20 0.37
WNT1 P04628 1/20 0.37
PDE5A O76074 1/20 0.36
PDE6A P16499 1/20 0.36
ACKR3 P25106 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PDCD1 Q15116 1/20 0.36
INSR P06213 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL4396957 0.94 TLR9 (0.42) TLR9GSK3BDYRK1ACD274EGLN1
SCHEMBL4550682 0.92 GSK3B (0.39) TLR9GSK3BATMDYRK1ACCNE1
SCHEMBL4410357 0.91 GSK3B (0.40) TLR9GSK3BDYRK1ACD274EGLN1
SCHEMBL4551165 0.89 SIGMAR1 (0.40) TLR9DYRK1ACD274PDCD1
SCHEMBL914569 0.87 TLR9 (0.44) TLR9GSK3BDYRK1ACD274EGLN1
SCHEMBL4411339 0.85 HTR7 (0.38) DYRK1AHTR7WNT1
SCHEMBL4403446 0.83 DYRK1A (0.37) TLR9GSK3BDYRK1ACD274WNT1
SCHEMBL4396992 0.82 KMT2A (0.41) DYRK1AACKR3
SCHEMBL914725 0.81 TLR9 (0.44) TLR9GSK3BDYRK1ACD274EGLN1
SCHEMBL4405570 0.81 TLR7 (0.43) TLR9ATMDYRK1A

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