SCHEMBL16986319

SCHEMBL16986319

O=C1Nc2nc(Oc3ccccc3)[nH]c(=O)c2CC1c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.37
▸ MMP13 P45452 3/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32
▸ MAOA P21397 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ KDM1A O60341 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
SCHEMBL16986351 0.78 GSK3B (0.41) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL16986311 0.72 NPC1 (0.35) MAPTLMNAPKMNPC1
SCHEMBL16986369 0.72 KDM4E (0.44) MAPTLMNAKDM4ETDP1
SCHEMBL16986306 0.64 NOS1 (0.39) LMNA
SCHEMBL16986329 0.63 TP53 (0.37) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL11603668 0.59 KDM4C (0.48) KDM4CHCAR2
SCHEMBL10763670 0.57 KDM1A (0.41) MMP13MMP2MMP1MMP3MMP9
SCHEMBL8300066 0.57 DDB1 (0.67) IDO1MAPTLMNAPKMKDM4E
SCHEMBL1567424 0.57 DDB1 (0.67) IDO1MAPTLMNAPKMKDM4E
SCHEMBL29028926 0.56 TDP1 (0.45) MMP13MMP1LMNATDP1MAOB

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
Send feedback