SCHEMBL20219649

SCHEMBL20219649

CCCC[C@@H](CCCO)Nc1nc(C=N)ncc1OCc1cccc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 10/20 0.38
▸ TLR8 Q9NR97 6/20 0.36
▸ TLR7 Q9NYK1 5/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ BRDT Q58F21 1/20 0.33

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
SCHEMBL21768408 0.82 KCNH2 (0.52) KCNH2TLR8TLR7
SCHEMBL15470391 0.82 KCNH2 (0.52) KCNH2TLR8TLR7
SCHEMBL23472197 0.81 TLR8 (0.41) KCNH2TLR8TLR7BRD4BRD2
SCHEMBL15470177 0.79 TLR8 (0.49) KCNH2TLR8TLR7
SCHEMBL20219461 0.79 TLR8 (0.37) KCNH2TLR8TLR7BRD4BRD2
SCHEMBL20219636 0.76 KCNH2 (0.51) KCNH2TLR8TLR7
SCHEMBL15470229 0.76 KCNH2 (0.51) KCNH2TLR8TLR7
SCHEMBL20219726 0.76 TLR8 (0.43) KCNH2TLR8TLR7
SCHEMBL20219711 0.75 TLR8 (0.44) KCNH2TLR8TLR7
SCHEMBL20219778 0.74 TLR7 (0.41) KCNH2TLR8TLR7

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-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
Send feedback