SCHEMBL29444464

SCHEMBL29444464

CC(CO[Si](C)(C)C(C)(C)C)c1c[nH]c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.45
TLR7 Q9NYK1 8/20 0.45
TLR9 Q9NR96 6/20 0.45
PDE4B Q07343 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
NAMPT P43490 1/20 0.39
LMNA P02545 1/20 0.39
JAK2 O60674 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL28712194 1.00 TLR8 (0.45) TLR8TLR7TLR9PDE4BDDB1
SCHEMBL19761062 0.85 TLR8 (0.51) TLR8TLR7TLR9PDE4BDDB1
SCHEMBL29555763 0.85 TLR8 (0.51) TLR8TLR7TLR9PDE4BDDB1
SCHEMBL28705456 0.83 TLR8 (0.51) TLR8TLR7TLR9
SCHEMBL29444448 0.83 TLR8 (0.51) TLR8TLR7TLR9
SCHEMBL28709798 0.83 MAPT (0.47) TLR8TLR7TLR9PDE4BDDB1
SCHEMBL29444440 0.83 MAPT (0.47) TLR8TLR7TLR9PDE4BDDB1
SCHEMBL19838731 0.79 PDE4B (0.46) TLR8TLR7TLR9PDE4BDDB1
SCHEMBL29555376 0.79 PDE4B (0.46) TLR8TLR7TLR9PDE4BDDB1
SCHEMBL29444446 0.79 GABRP (0.45) PDE4BNAMPTCNR1

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
CN-114057759-A Condensed tetracyclic derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-02-18 CN disclosed