SCHEMBL20219461

SCHEMBL20219461

C=Cc1ncc(OCc2cccc(C)n2)c(N[C@H](CO)CCC)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 0.37
▸ TLR7 Q9NYK1 8/20 0.37
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ KCNH2 Q12809 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ PDE5A O76074 2/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CRHR1 P34998 1/20 0.31

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
SCHEMBL23472205 0.86 TLR8 (0.41) TLR8TLR7CDK1CDK5
SCHEMBL15470171 0.85 TLR8 (0.48) TLR8TLR7KCNH2
SCHEMBL20219566 0.84 TLR8 (0.37) TLR8TLR7KCNH2CDK1CDK5
SCHEMBL23472197 0.81 TLR8 (0.41) TLR8TLR7CCNKCDK12KCNH2
SCHEMBL23472650 0.81 CRHR1 (0.34) TLR8TLR7CRHR1
SCHEMBL23472657 0.81 TLR8 (0.41) TLR8TLR7CDK1CDK5
SCHEMBL23472555 0.81 TRPM8 (0.41) TLR8TLR7KCNH2
SCHEMBL15470177 0.80 TLR8 (0.49) TLR8TLR7KCNH2
SCHEMBL23472369 0.79 TLR8 (0.38) TLR8TLR7KCNH2CDK1CDK5
SCHEMBL20219649 0.79 KCNH2 (0.38) TLR8TLR7KCNH2BRD4BRD2

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
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