SCHEMBL6773932

SCHEMBL6773932

Cc1nc(N)c2nc(C)n(CCCNS(=O)(=O)C(C)C)c2c1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.38
TLR7 Q9NYK1 1/20 0.35
NPY5R Q15761 2/20 0.33
CSNK2A1 P68400 3/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL6783236 0.93 GRIA1 (0.33) GRIA1TLR7NPY5RCA12CA1
SCHEMBL6287590 0.87 TLR7 (0.46) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL6778418 0.87 TLR7 (0.39) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL6095597 0.83 TLR7 (0.50) TLR7NPY5RCSNK2A1PIM1CSNK2A2
SCHEMBL6774466 0.83 TLR7 (0.39) GRIA1TLR7
SCHEMBL6783729 0.83 TLR7 (0.37) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL6777327 0.79 TLR7 (0.34) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL5031355 0.79 TLR7 (0.40) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL6097539 0.79 KMT2A (0.36) TLR7CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL4790972 0.79 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