SCHEMBL28563333

SCHEMBL28563333

CCCCc1cn(-c2nc(N)nc(N)n2)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.41
HRH2 P25021 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TLR7 Q9NYK1 6/20 0.35
TLR8 Q9NR97 5/20 0.35
HRH4 Q9H3N8 2/20 0.34
TSHR P16473 2/20 0.32
KCNH2 Q12809 1/20 0.32
PDPK1 O15530 1/20 0.32
IKBKB O14920 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28564372 0.95 KCNH2 (0.38) NOS2HRH2HRH3TLR7TLR8
SCHEMBL28577366 0.94 KCNH2 (0.40) NOS2HRH2HRH3TLR7TLR8
SCHEMBL28569785 0.94 KCNH2 (0.40) NOS2HRH2HRH3TLR7TLR8
SCHEMBL28563813 0.90 NOS2 (0.39) NOS2HRH3HRH4TSHR
SCHEMBL2156240 0.85 NOS3 (0.36) NOS2HRH3HRH4TSHR
SCHEMBL28575209 0.81 KCNH2 (0.39) NOS2HRH2HRH3TLR7TLR8
SCHEMBL28569884 0.81 KCNH2 (0.39) NOS2HRH2HRH3TLR7TLR8
SCHEMBL28569877 0.79 KCNH2 (0.40) NOS2TLR7TLR8TSHRKCNH2
SCHEMBL28563249 0.79 KCNH2 (0.40) NOS2TLR7TLR8TSHRKCNH2
SCHEMBL28560956 0.79 KCNH2 (0.40) NOS2TLR7TLR8TSHRKCNH2

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-112724596-A Curable composition and cured product 盛势达技研株式会社 2021-04-30 CN disclosed