SCHEMBL28569887

SCHEMBL28569887

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
TLR8 Q9NR97 8/20 0.39
PDE4B Q07343 1/20 0.36
TSHR P16473 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
NR1H3 Q13133 1/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP17A1 P05093 1/20 0.33
ADA P00813 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
SCHEMBL28563239 0.99 TLR8 (0.40) DHFRTLR8PDE4BTSHRHTR1A
SCHEMBL28566839 0.95 HTR1A (0.38) DHFRTLR8PDE4BTSHRHTR1A
SCHEMBL28563228 0.90 HTR1A (0.36) DHFRTLR8TSHRHTR1AHTR2A
SCHEMBL28560946 0.85 ADORA2A (0.37) DHFRTLR8HTR1AHTR2AHTR7
SCHEMBL28913414 0.83 PDE4B (0.40) DHFRTLR8PDE4BTSHRHTR1A
SCHEMBL28566843 0.81 PDE4B (0.41) DHFRTLR8PDE4BTSHRHTR1A
SCHEMBL28577388 0.81 TLR8 (0.31) TLR8
SCHEMBL28559978 0.79 TLR8 (0.31) TLR8
SCHEMBL28560025 0.78 CYP17A1 (0.41) DHFRTLR8PDE4BTSHRHTR1A
SCHEMBL28575202 0.75 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