SCHEMBL19405239

SCHEMBL19405239

CCCCOc1cc2nc(NCc3ccc(OC)cc3)nc(N3CCNCC3)c2cc1OC

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.78
TLR9 Q9NR96 8/20 0.56
SPIN1 Q9Y657 3/20 0.47
SPIN4 Q56A73 1/20 0.47
SPIN3 Q5JUX0 1/20 0.47
SPIN2B Q9BPZ2 1/20 0.47
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
NTSR1 P30989 2/20 0.46
EHMT2 Q96KQ7 1/20 0.45
DNMT3A Q9Y6K1 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL19405236 0.90 TLR7 (0.78) TLR7TLR9SPIN1SPIN4SPIN3
SCHEMBL19405149 0.88 TLR7 (1.00) TLR7TLR9PDGFRBPDGFRANTSR1
SCHEMBL19405237 0.83 TLR9 (0.81) TLR7TLR9PDGFRBPDGFRAEHMT2
SCHEMBL19406427 0.78 TLR7 (0.80) TLR7TLR9SPIN1
SCHEMBL19406161 0.78 TLR7 (0.63) TLR7TLR9SPIN1EHMT2
SCHEMBL19385129 0.78 TLR7 (1.00) TLR7TLR9SPIN1SPIN4SPIN3
SCHEMBL19405151 0.78 TLR7 (1.00) TLR7TLR9EHMT2
SCHEMBL19405193 0.73 TLR9 (0.80) TLR7TLR9PDGFRBPDGFRANTSR1
SCHEMBL20838528 0.73 TLR7 (0.75) TLR7TLR9NTSR1
SCHEMBL4234622 0.73 EHMT2 (0.50) TLR7EHMT2

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