SCHEMBL25818358

SCHEMBL25818358

CCCCc1nc2cnc3cc(C)sc3c2n1CC1CCN(OC(=O)c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.38
AGTR1 P30556 9/20 0.35
AGTR2 P50052 9/20 0.35
TLR8 Q9NR97 2/20 0.35
P2RX3 P56373 2/20 0.34

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
SCHEMBL25818355 0.92 AGTR1 (0.37) TLR7AGTR1AGTR2TLR8P2RX3
SCHEMBL25818353 0.88 PDE4A (0.42) TLR7AGTR1AGTR2TLR8
SCHEMBL25818361 0.86 TLR7 (0.52) TLR7TLR8
SCHEMBL25818360 0.86 TLR7 (0.36) TLR7AGTR1AGTR2TLR8P2RX3
SCHEMBL26664990 0.84 TLR7 (0.38) TLR7AGTR1AGTR2TLR8P2RX3
SCHEMBL25296504 0.83 P2RX3 (0.43) P2RX3
SCHEMBL31025947 0.83 P2RX3 (0.43) P2RX3
SCHEMBL31270748 0.80 ADORA2B (0.41) P2RX3
SCHEMBL25262168 0.80 ADORA2B (0.41) P2RX3
SCHEMBL25300018 0.78 TLR7 (0.48) TLR7TLR8

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