SCHEMBL13975906

SCHEMBL13975906

CCC[C@@H](CC)Nc1nc(N)nc2cccc(C)c12

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.80
▸ TLR8 Q9NR97 10/20 0.52
▸ TLR7 Q9NYK1 4/20 0.52
▸ ELANE P08246 1/20 0.46

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
SCHEMBL15502379 0.90 KCNH2 (0.84) KCNH2TLR8TLR7
SCHEMBL13975892 0.89 KCNH2 (1.00) KCNH2TLR8TLR7
SCHEMBL24384587 0.83 KCNH2 (0.85) KCNH2TLR8TLR7
SCHEMBL22958997 0.83 KCNH2 (0.85) KCNH2TLR8TLR7
SCHEMBL13975908 0.83 KCNH2 (0.85) KCNH2TLR8TLR7
SCHEMBL22958985 0.82 KCNH2 (1.00) KCNH2TLR8TLR7
SCHEMBL13975716 0.82 KCNH2 (1.00) KCNH2TLR8TLR7
SCHEMBL24384698 0.79 KCNH2 (0.70) KCNH2TLR8TLR7
SCHEMBL24384584 0.77 KCNH2 (0.85) KCNH2TLR8TLR7
SCHEMBL24384693 0.77 KCNH2 (0.85) KCNH2TLR8TLR7

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
WO-2012156498-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN R&D IRELAND (IE) 2012-11-22 — — WO disclosed
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