SCHEMBL6778418

SCHEMBL6778418

CCS(=O)(=O)NCCCn1c(C)nc2c(N)nc(C)c(C)c21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.39
CSNK2A1 P68400 2/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6777327 0.92 TLR7 (0.34) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL6783729 0.91 TLR7 (0.37) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL6287590 0.90 TLR7 (0.46) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL6773932 0.87 GRIA1 (0.38) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL6095597 0.86 TLR7 (0.50) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL6779020 0.84 TLR7 (0.33) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL6777551 0.83 TLR7 (0.41) TLR7
SCHEMBL4872231 0.82 CSNK2A1 (0.35) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL5031355 0.82 TLR7 (0.40) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL4790972 0.82 CSNK2A1 (0.38) TLR7CSNK2A1PIM1CSNK2A2CSNK2B

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
US-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed