SCHEMBL28569892

SCHEMBL28569892

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.41
XDH P47989 1/20 0.39
TLR8 Q9NR97 6/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RPS6KA3 P51812 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA2B P29275 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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 0.99 DHFR (0.39) DHFRXDHTLR8USP2TSHR
SCHEMBL28566841 0.95 DHFR (0.37) DHFRXDHTLR8USP2TSHR
SCHEMBL28563229 0.91 USP2 (0.37) DHFRUSP2TSHRMAPK1HSD17B10
SCHEMBL28560948 0.86 USP2 (0.38) DHFRUSP2TSHRMAPK1HSD17B10
SCHEMBL28577390 0.79 TLR8 (0.31) TLR8TLR7
SCHEMBL28913415 0.78 DHFR (0.42) DHFRXDHTLR8TSHRKDM4E
SCHEMBL28559980 0.77 TLR8 (0.32) TLR8TLR7
SCHEMBL28566844 0.77 DHFR (0.40) DHFRTLR8TSHRMAPK1KDM4E
SCHEMBL31531721 0.76 DHFR (0.40) DHFRXDHTLR8TLR7HDAC3
SCHEMBL31531715 0.76 DHFR (0.37) DHFRXDHTLR8ADORA2BTLR7

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