SCHEMBL20386791

SCHEMBL20386791

CCCC[C@@H](CCO)Nc1nc(N)ncc1OCCCc1ccc(C)c(OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.46
▸ TLR7 Q9NYK1 10/20 0.46
▸ TLR8 Q9NR97 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
SCHEMBL23472411 0.96 TLR7 (0.47) KCNH2TLR7TLR8
SCHEMBL20219545 0.84 TLR7 (0.39) KCNH2TLR7TLR8
SCHEMBL20219557 0.84 KCNH2 (0.57) KCNH2TLR7TLR8
SCHEMBL15469988 0.84 KCNH2 (0.57) KCNH2TLR7TLR8
SCHEMBL20386638 0.84 KCNH2 (0.56) KCNH2TLR7TLR8
SCHEMBL15470225 0.84 KCNH2 (0.56) KCNH2TLR7TLR8
SCHEMBL15470269 0.83 TLR7 (0.44) KCNH2TLR7TLR8
SCHEMBL20386646 0.81 KCNH2 (0.47) KCNH2TLR7TLR8
SCHEMBL20219768 0.81 TLR7 (0.47) TLR7TLR8
SCHEMBL15470455 0.81 KCNH2 (0.55) KCNH2TLR7TLR8

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-2694484-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-18 — — EP disclosed
Send feedback