SCHEMBL18664303

SCHEMBL18664303

CCCC[C@@H](CO)Nc1nc(NCCC[C@H](Nc2nc(N)nc3cccnc23)C(=O)NCCO)nc2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 17/20 0.67
▸ TLR7 Q9NYK1 8/20 0.67
▸ KCNH2 Q12809 3/20 0.44

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
SCHEMBL22539058 0.91 TLR8 (0.56) TLR8TLR7KCNH2
SCHEMBL18109552 0.89 TLR8 (0.74) TLR8TLR7KCNH2
SCHEMBL18109555 0.89 TLR8 (0.74) TLR8TLR7KCNH2
SCHEMBL18109268 0.84 TLR8 (0.65) TLR8TLR7KCNH2
SCHEMBL18109269 0.84 TLR8 (0.65) TLR8TLR7KCNH2
SCHEMBL18109379 0.82 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL18109487 0.82 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL18109380 0.82 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL18638438 0.81 TLR8 (0.55) TLR8TLR7KCNH2
SCHEMBL18109661 0.79 TLR8 (1.00) TLR8TLR7KCNH2

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-2017048727-A1 MODULATORS OF TOLL-LIKE RECPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2017-03-23 — — WO disclosed
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