SCHEMBL6777327

SCHEMBL6777327

CCS(=O)(=O)NCCn1c(C)nc2c(N)nc(C)c(C)c21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.34
PTGES O14684 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 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
SCHEMBL6778418 0.92 TLR7 (0.39) TLR7CA12CA1CA2CA9
SCHEMBL5031355 0.90 TLR7 (0.40) TLR7PTGESCA12CA1CA2
SCHEMBL6779020 0.89 TLR7 (0.33) TLR7PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6783236 0.86 GRIA1 (0.33) TLR7CA12CA1CA2CA9
SCHEMBL6783729 0.83 TLR7 (0.37) TLR7CA12CA1CA2CA9
SCHEMBL6773797 0.82 KMT2A (0.43) TLR7PTGES
SCHEMBL6287590 0.82 TLR7 (0.46) TLR7CA12CA1CA2CA9
SCHEMBL6780037 0.81 CYP3A4 (0.40) TLR7PTGESCA12CA1CA2
SCHEMBL6095597 0.81 TLR7 (0.50) TLR7PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6774905 0.81 GFER (0.44)

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