SCHEMBL25375498

SCHEMBL25375498

CCCCC(C)(CO)Nc1nc(N)nc2cc(-c3cc(=S)[nH]cc3CN(C)CCOC)ccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 11/20 0.43
▸ TLR7 Q9NYK1 4/20 0.40
▸ GRM2 Q14416 1/20 0.34
▸ KCNH2 Q12809 3/20 0.33
▸ NLRP3 Q96P20 1/20 0.32
▸ CYP2D6 P10635 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ ADORA1 P30542 1/20 0.30

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
SCHEMBL25375494 1.00 TLR8 (0.43) TLR8TLR7GRM2KCNH2NLRP3
SCHEMBL25374605 0.92 TLR8 (0.42) TLR8TLR7GRM2KCNH2NLRP3
SCHEMBL25374600 0.92 TLR8 (0.42) TLR8TLR7GRM2KCNH2NLRP3
SCHEMBL31248319 0.90 TLR8 (0.53) TLR8TLR7
SCHEMBL31248306 0.85 TLR8 (0.45) TLR8TLR7KCNH2NLRP3
SCHEMBL25376460 0.84 TLR8 (0.44) TLR8TLR7KCNH2NLRP3
SCHEMBL25376457 0.84 TLR8 (0.44) TLR8TLR7KCNH2NLRP3
SCHEMBL31248310 0.84 TLR8 (0.41) TLR8TLR7GRM2KCNH2CYP2D6
SCHEMBL30563776 0.81 TLR8 (0.41) TLR8TLR7KCNH2NLRP3CYP2D6
SCHEMBL30563777 0.81 TLR8 (0.47) TLR8TLR7KCNH2NLRP3

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-2023160527-A1 PYRIMIDO AROMATIC RING COMPOUND AND USE THEREOF IN DRUG 广东东阳光药业股份有限公司 2023-08-31 — — WO disclosed
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