SCHEMBL25818353

SCHEMBL25818353

CCCCc1nc2cnc3ccsc3c2n1CC1CCN(OC(=O)c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
TLR7 Q9NYK1 15/20 0.39
TLR8 Q9NR97 4/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35

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
SCHEMBL25818358 0.88 TLR7 (0.38) TLR7TLR8AGTR1AGTR2
SCHEMBL25818355 0.88 AGTR1 (0.37) TLR7TLR8AGTR1AGTR2
SCHEMBL25818813 0.86 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL25818814 0.86 TLR7 (0.53) TLR7TLR8
SCHEMBL29030557 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30586083 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL25257290 0.83 GRIN2B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31025935 0.83 GRIN2B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31270644 0.80 ADORA2A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL25256593 0.80 ADORA2A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B

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
WO-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed