SCHEMBL19406433

SCHEMBL19406433

CCCCOc1cc2nc(N(C)C)nc(N3CCN(C)CC3)c2cc1OC

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.81
TLR9 Q9NR96 16/20 0.81
SMN1; SMN2 Q16637 1/20 0.56
NSD2 O96028 1/20 0.55

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
SCHEMBL19405196 0.90 TLR7 (1.00) TLR7TLR9
SCHEMBL19406427 0.89 TLR7 (0.80) TLR7TLR9
SCHEMBL19406135 0.83 TLR9 (0.75) TLR7TLR9
SCHEMBL19385008 0.80 TLR9 (0.64) TLR7TLR9SMN1; SMN2NSD2
SCHEMBL29936661 0.80 TLR9 (0.64) TLR7TLR9SMN1; SMN2NSD2
SCHEMBL19385104 0.80 TLR9 (0.69) TLR7TLR9SMN1; SMN2NSD2
SCHEMBL19385134 0.80 TLR7 (1.00) TLR7TLR9
SCHEMBL29936638 0.80 TLR7 (1.00) TLR7TLR9
SCHEMBL19405144 0.80 TLR7 (0.90) TLR7TLR9SMN1; SMN2NSD2
SCHEMBL19385168 0.79 TLR7 (1.00) TLR7TLR9SMN1; SMN2NSD2

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-2017163264-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-28 WO disclosed