SCHEMBL28563241

SCHEMBL28563241

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
XDH P47989 1/20 0.38
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
RPS6KA3 P51812 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADORA2B P29275 1/20 0.35
NPY5R Q15761 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 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
SCHEMBL28569892 0.99 DHFR (0.41) DHFRXDHTLR8USP2TSHR
SCHEMBL28566841 0.96 DHFR (0.37) DHFRXDHTLR8USP2TSHR
SCHEMBL28563229 0.93 USP2 (0.37) DHFRUSP2TSHRMAPK1HSD17B10
SCHEMBL28560948 0.87 USP2 (0.38) DHFRUSP2TSHRMAPK1HSD17B10
SCHEMBL28559980 0.78 TLR8 (0.32) TLR8PI4KAPI4K2BPI4K2API4KB
SCHEMBL28566844 0.78 DHFR (0.40) DHFRTLR8TSHRMAPK1KDM4E
SCHEMBL28577390 0.77 TLR8 (0.31) TLR8
SCHEMBL28913415 0.77 DHFR (0.42) DHFRXDHTLR8TSHRKDM4E
SCHEMBL31531711 0.76 DHFR (0.38) DHFRXDHTLR8
SCHEMBL31531709 0.75 PIN1 (0.36) DHFRXDHTLR8RPS6KA3ADORA2B

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