SCHEMBL16986374

SCHEMBL16986374

Nc1nc(N2CCCC2)c2cc(-c3ccc(F)cc3)c(=O)[nH]c2n1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 19/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.58
▸ MAP2K7 O14733 1/20 0.42

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
SCHEMBL16995181 0.78 HRH4 (0.62) HRH4HRH3
SCHEMBL4356738 0.72 HRH4 (0.51) HRH4HRH3
SCHEMBL16986333 0.70 TLR8 (0.41) HRH4
SCHEMBL4063426 0.69 NOS1 (0.48) HRH4HRH3
SCHEMBL938102 0.69 HRH4 (0.55) HRH4HRH3
SCHEMBL16986337 0.67 MAPT (0.48) —
SCHEMBL654404 0.66 HRH4 (0.59) HRH4HRH3MAP2K7
SCHEMBL14320465 0.66 HRH4 (0.78) HRH4MAP2K7
SCHEMBL14320582 0.65 HRH4 (0.76) HRH4MAP2K7
SCHEMBL651846 0.64 HRH4 (0.64) HRH4HRH3MAP2K7

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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