SCHEMBL16986355

SCHEMBL16986355

CCCOCCNc1nc(N)nc2[nH]c(=O)c(-c3ccc(F)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.39
▸ HRH4 Q9H3N8 6/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ PDE5A O76074 4/20 0.35
▸ APP P05067 1/20 0.34
▸ KCNH3 Q9ULD8 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ PDE6A P16499 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33

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
SCHEMBL16986333 0.87 TLR8 (0.41) PIK3CAHRH4JAK2APPKCNH3
SCHEMBL16986352 0.83 CHRNA7 (0.39) JAK2PDE5AKCNH3CYP1A2GSK3B
SCHEMBL16986317 0.82 PIK3CA (0.43) PIK3CAHRH4PDE5AAPPPDE6A
SCHEMBL16986374 0.68 HRH4 (0.59) HRH4HRH3
SCHEMBL16986327 0.68 FGFR1 (0.46) APPTLR8TLR7
SCHEMBL16986349 0.68 PIK3CA (0.46) PIK3CAHRH4KCNH3TLR8TLR7
SCHEMBL16986323 0.67 FGFR1 (0.40) PDE5AKCNH3
SCHEMBL16986334 0.67 NPC1 (0.36) PDE5ATLR8TLR7GSK3B
SCHEMBL4358329 0.65 APP (0.59) PDE5AAPPTLR8TLR7CHRNA7
SCHEMBL16986308 0.65 FGFR1 (0.39) PDE5A

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 6 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 claimed
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 claimed
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
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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