SCHEMBL16986333

SCHEMBL16986333

CCCCCNc1nc(N)nc2[nH]c(=O)c(-c3ccc(F)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 7/20 0.41
▸ TLR7 Q9NYK1 7/20 0.41
▸ KCNH3 Q9ULD8 1/20 0.40
▸ HRH4 Q9H3N8 3/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ APP P05067 1/20 0.36

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
SCHEMBL16986355 0.87 PIK3CA (0.39) TLR8TLR7KCNH3HRH4JAK2
SCHEMBL16986327 0.80 FGFR1 (0.46) TLR8TLR7APP
SCHEMBL16986349 0.80 PIK3CA (0.46) TLR8TLR7KCNH3HRH4PIK3CA
SCHEMBL4353328 0.72 TLR8 (0.57) TLR8TLR7KCNH2APP
SCHEMBL16986352 0.71 CHRNA7 (0.39) KCNH3JAK2MAPT
SCHEMBL16986374 0.70 HRH4 (0.59) HRH4
SCHEMBL13975831 0.69 TLR8 (0.61) TLR8TLR7KCNH2APP
SCHEMBL4565184 0.68 TLR8 (0.64) TLR8TLR7
SCHEMBL4358329 0.67 APP (0.59) TLR8TLR7KCNH2APP
SCHEMBL16986314 0.65 TLR7 (0.40) TLR8TLR7KCNH3KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015118110-A1 PYRIDO[2,3-D]PYRIMIDINE-7(8H)-ONE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INSTITUT QUÍMIC DE SARRIÁ, CETS FUNDACIÓ PRIVADA (ES) 2015-08-13 — — WO disclosed
EP-2905024-A1 Pyrido[2,3-d]pyrimidine-7(8H)-one derivatives for the treatment of infections caused by Flaviviridae Institut Quimic De Sarriá Cets, Fundació Privada (ES) 2015-08-12 — — EP disclosed
EP-2905024-A1 Pyrido[2,3-d]pyrimidine-7(8H)-one derivatives for the treatment of infections caused by Flaviviridae Institut Quimic De Sarriá Cets, Fundació Privada (ES) 2015-08-12 — — EP disclosed
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