SCHEMBL31531709

SCHEMBL31531709

CCCCCC(c1nc(N)nc(N)n1)C(O)c1nc(-c2ccccc2)[nH]c1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.36
DHFR P00374 1/20 0.35
GCGR P47871 1/20 0.33
MAPT P10636 1/20 0.33
XDH P47989 1/20 0.32
TLR8 Q9NR97 4/20 0.32
SLC9A1 P19634 1/20 0.32
NPY5R Q15761 1/20 0.32
CSNK1E P49674 1/20 0.32
HPGDS O60760 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ADORA2B P29275 1/20 0.32
RPS6KA3 P51812 1/20 0.32

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
SCHEMBL31531715 0.99 DHFR (0.37) PIN1DHFRGCGRMAPTXDH
SCHEMBL31531710 0.97 PIN1 (0.37) PIN1DHFRGCGRMAPTTLR8
SCHEMBL31531711 0.81 DHFR (0.38) DHFRGCGRXDHTLR8CSNK1E
SCHEMBL31531721 0.81 DHFR (0.40) DHFRGCGRXDHTLR8CSNK1E
SCHEMBL31531717 0.78 DHFR (0.37) DHFRGCGRTLR8TLR7ADORA2B
SCHEMBL28563241 0.75 DHFR (0.39) DHFRXDHTLR8NPY5RADORA2B
SCHEMBL28569892 0.74 DHFR (0.41) DHFRXDHTLR8TLR7ADORA2B
SCHEMBL31531718 0.73 DHFR (0.34) DHFRMAPTTLR8TLR7
SCHEMBL28566841 0.71 DHFR (0.37) DHFRXDHTLR8TLR7ADORA2B
SCHEMBL8963701 0.71 PIN1 (0.51) PIN1MAPTSLC9A1NPY5RHPGDS

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