SCHEMBL4017899

SCHEMBL4017899

O=c1[nH]c2ccccc2cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.55
BRD4 O60885 1/20 0.55
DDO Q99489 1/20 0.55
KDR P35968 2/20 0.51
CHEK1 O14757 1/20 0.51
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
PABPC1 P11940 1/20 0.49
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 2/20 0.49
KHK P50053 1/20 0.49
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48

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
SCHEMBL30556309 1.00 DAO (0.55) DAOBRD4DDOKDRCHEK1
SCHEMBL31620114 0.82 KDR (0.57) DAOBRD4DDOKDRCHEK1
SCHEMBL31048730 0.81 BRD4 (0.59) DAOBRD4DDOKDRCHEK1
SCHEMBL837270 0.81 BRD4 (0.59) DAOBRD4DDOKDRCHEK1
SCHEMBL24427742 0.77 DAO (0.58) DAODDOMAPTMEN1KMT2A
SCHEMBL30806289 0.77 HCAR1 (0.44) DAOKDRCHEK1HPGDPDGFRB
SCHEMBL25912343 0.77 DAO (0.58) DAODDOMAPTMEN1KMT2A
SCHEMBL29370120 0.75 DAO (0.60) DAOBRD4DDOKDRCHEK1
SCHEMBL10481645 0.75 DAO (0.60) DAOBRD4DDOKDRCHEK1
SCHEMBL10617 0.75 DAO (0.60) DAOBRD4DDOKDRCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3503891-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE Bristol-Myers Squibb Company (US) 2019-07-03 EP claimed
WO-2018039512-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-01 WO claimed
CN-114014805-A Preparation method of trifluoromethylated 2, 4-quinolinedione compounds 南宁师范大学 2022-02-08 CN disclosed
EP-3830080-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2021-06-09 EP disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed
CN-108503582-B Microwave-assisted synthesis method of 2- (1H) -quinolinone compounds 湖南科技学院 2020-01-07 CN disclosed
CN-106459126-B Novel grape sugar derivatives and the cell imaging method and imaging agent for using the derivative 国立大学法人弘前大学 2019-10-01 CN disclosed
CN-108503582-A The microwave assisted synthesizing method of 2- (1H)-quinolinones compound 湖南科技学院 2018-09-07 CN disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed
EP-0707569-A1 4-AMINO-2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-04-24 EP disclosed
WO-1995000488-A1 4-AMINO-2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-01-05 WO disclosed