SCHEMBL28563239

SCHEMBL28563239

CCCCCC(c1nc(N)nc(N)n1)n1cc(C)nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.40
DHFR P00374 1/20 0.38
PDE4B Q07343 1/20 0.37
TSHR P16473 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
HSD11B1 P28845 2/20 0.35
NR1H3 Q13133 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP17A1 P05093 1/20 0.34
GSK3B P49841 1/20 0.33

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
SCHEMBL28569887 0.99 DHFR (0.40) TLR8DHFRPDE4BTSHRHTR1A
SCHEMBL28566839 0.96 HTR1A (0.38) TLR8DHFRPDE4BTSHRHTR1A
SCHEMBL28563228 0.91 HTR1A (0.36) TLR8DHFRTSHRHTR1AHTR2A
SCHEMBL28560946 0.86 ADORA2A (0.37) TLR8DHFRHTR1AHTR2AHTR7
SCHEMBL28566843 0.82 PDE4B (0.41) TLR8DHFRPDE4BTSHRHTR1A
SCHEMBL28913414 0.81 PDE4B (0.40) TLR8DHFRPDE4BTSHRHTR1A
SCHEMBL28559978 0.80 TLR8 (0.31) TLR8
SCHEMBL28577388 0.79 TLR8 (0.31) TLR8
SCHEMBL28560025 0.79 CYP17A1 (0.41) TLR8DHFRPDE4BTSHRHTR1A
SCHEMBL28575202 0.76 TLR8 (0.32) TLR8HTR1AHTR2AHTR7HTR6

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