SCHEMBL28566841

SCHEMBL28566841

CCCCC(c1nc(N)nc(N)n1)c1[nH]c(-c2ccccc2)nc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.37
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
TLR8 Q9NR97 5/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
XDH P47989 1/20 0.36
RPS6KA3 P51812 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ADORA2B P29275 1/20 0.36
KCNH2 Q12809 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 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
SCHEMBL28563241 0.96 DHFR (0.39) DHFRTLR8USP2TSHRMAPK1
SCHEMBL28569892 0.95 DHFR (0.41) DHFRTLR8USP2TSHRMAPK1
SCHEMBL28563229 0.94 USP2 (0.37) DHFRHTR1AHTR2AHTR7HTR6
SCHEMBL28560948 0.88 USP2 (0.38) DHFRUSP2TSHRMAPK1HSD17B10
SCHEMBL28575205 0.78 TLR8 (0.33) HTR1AHTR2AHTR7HTR6TLR8
SCHEMBL28560027 0.77 DHFR (0.39) DHFRHTR1AHTR2AHTR7HTR6
SCHEMBL31531717 0.75 DHFR (0.37) DHFRHTR1AHTR2AHTR7HTR6
SCHEMBL31531710 0.75 PIN1 (0.37) DHFRHTR1AHTR2AHTR7HTR6
SCHEMBL28559980 0.74 TLR8 (0.32) TLR8TLR7PI4KAPI4K2BPI4K2A
SCHEMBL28566844 0.73 DHFR (0.40) DHFRHTR1AHTR2AHTR7HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724596-B Curable composition and cured product 盛势达技研株式会社 2025-04-18 CN disclosed
CN-112724596-A Curable composition and cured product 盛势达技研株式会社 2021-04-30 CN disclosed