SCHEMBL23472392

SCHEMBL23472392

CCCCC(CO)Nc1nc(NC)ncc1CCc1cc(C)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ TLR8 Q9NR97 5/20 0.36
▸ TLR7 Q9NYK1 4/20 0.36
▸ KCNH2 Q12809 2/20 0.32
▸ AXL P30530 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ BCHE P06276 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
SCHEMBL20219416 0.94 TLR7 (0.34) CDK1CDK5TLR8TLR7BCHE
SCHEMBL23472365 0.87 TLR8 (0.45) TLR8TLR7KCNH2
SCHEMBL20219693 0.84 TLR8 (0.35) CDK1CDK5TLR8TLR7KCNH2
SCHEMBL20219653 0.81 TLR8 (0.43) TLR8TLR7KCNH2
SCHEMBL20219459 0.78 TLR8 (0.33) TLR8TLR7BCHE
SCHEMBL20219365 0.76 CRHR1 (0.34) —
SCHEMBL20386740 0.73 TLR8 (0.44) TLR8TLR7KCNH2
SCHEMBL20219542 0.72 TLR8 (0.43) TLR8TLR7KCNH2
SCHEMBL15470288 0.72 TLR8 (0.43) TLR8TLR7KCNH2
SCHEMBL20025838 0.71 TLR7 (0.43) CDK1CDK5TLR8TLR7KCNH2

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
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