SCHEMBL23472261

SCHEMBL23472261

CCCCC(CO)Nc1ncncc1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 0.44
▸ TLR7 Q9NYK1 6/20 0.44
▸ KCNH2 Q12809 5/20 0.39
▸ TP53 P04637 1/20 0.36
▸ CDK1 P06493 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL23472430 0.78 TLR8 (0.57) TLR8TLR7KCNH2
SCHEMBL20219693 0.74 TLR8 (0.35) TLR8TLR7KCNH2TP53CDK1
SCHEMBL22448370 0.74 LPAR2 (0.48) TLR8TLR7
SCHEMBL20219560 0.72 TLR8 (0.44) TLR8TLR7KCNH2CDK1CDK5
SCHEMBL23472121 0.72 TLR8 (0.44) TLR8TLR7KCNH2CDK1CDK5
SCHEMBL23472180 0.70 ALDH1A1 (0.43) TLR8TLR7TP53CDK1
SCHEMBL23472303 0.70 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL23472188 0.69 TLR7 (0.36) TLR8TLR7KCNH2CYP11B1CYP11B2
SCHEMBL20219648 0.68 TLR8 (0.43) TLR8TLR7KCNH2
SCHEMBL20219595 0.68 TLR7 (0.40) 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-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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