SCHEMBL20219693

SCHEMBL20219693

CCCCC(CO)Nc1ncncc1CCc1cc(C)n(C)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 5/20 0.35
▸ TLR7 Q9NYK1 4/20 0.35
▸ BCHE P06276 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CDK5 Q00535 1/20 0.30

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
SCHEMBL20219459 0.94 TLR8 (0.33) TLR8TLR7BCHENTRK1TP53
SCHEMBL20219365 0.92 CRHR1 (0.34) —
SCHEMBL23472365 0.85 TLR8 (0.45) TLR8TLR7KCNH2
SCHEMBL23472392 0.84 CDK1 (0.36) TLR8TLR7BCHEKCNH2CDK1
SCHEMBL20219653 0.79 TLR8 (0.43) TLR8TLR7KCNH2
SCHEMBL20219416 0.78 TLR7 (0.34) TLR8TLR7BCHECDK1CDK5
SCHEMBL20386798 0.74 TLR8 (0.40) TLR8TLR7KCNH2CDK1CDK5
SCHEMBL23472261 0.74 TLR8 (0.44) TLR8TLR7KCNH2TP53CDK1
SCHEMBL20219542 0.72 TLR8 (0.43) TLR8TLR7KCNH2
SCHEMBL15470288 0.72 TLR8 (0.43) 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
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
Send feedback