SCHEMBL3417268

SCHEMBL3417268

CCCCCn1cc2nnc3ccccc3c2n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.54
▸ TLR7 Q9NYK1 2/20 0.54
▸ MPO P05164 3/20 0.46
▸ SLC9A1 P19634 4/20 0.43
▸ KDR P35968 5/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GPR3 P46089 1/20 0.37

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
SCHEMBL16974026 0.79 TLR7 (0.54) TLR8TLR7MPOKDRMEN1
SCHEMBL960548 0.73 TLR7 (0.54) TLR8TLR7MPOSLC9A1KDR
SCHEMBL254046 0.73 TLR8 (0.50) TLR8TLR7MPOSLC9A1KDR
SCHEMBL8633139 0.72 TLR8 (0.47) TLR8TLR7MPOKDRMEN1
SCHEMBL9229133 0.72 TLR8 (0.49) TLR8TLR7MPOSLC9A1KDR
SCHEMBL29311541 0.72 TLR8 (0.49) TLR8TLR7MPOSLC9A1KDR
SCHEMBL254210 0.71 KDR (0.42) TLR8TLR7MPOSLC9A1KDR
SCHEMBL29720427 0.70 TLR8 (1.00) TLR8TLR7
SCHEMBL22806917 0.70 TLR8 (0.72) TLR8TLR7MPOMEN1CYP1A2
SCHEMBL29787346 0.70 TLR8 (0.72) TLR8TLR7MPOMEN1CYP1A2

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
EP-1603917-B1 IMMUNOMODULATING HETEROCYCLIC COMPOUNDS MEDIGENE LTD (GB) 2010-11-24 — — EP disclosed
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