SCHEMBL357004

SCHEMBL357004

Cln1cnc2cncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP1A2 P05177 15/20 0.39
CYP2C9 P11712 11/20 0.39
CYP3A4 P08684 10/20 0.39
CYP2C19 P33261 9/20 0.39
ALDH1A1 P00352 8/20 0.39
TSHR P16473 5/20 0.39
LMNA P02545 5/20 0.39
MEN1 O00255 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 8/20 0.37
LTA4H P09960 1/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CYP2D6 P10635 2/20 0.36
MKNK2 Q9HBH9 1/20 0.35
HSD17B10 Q99714 4/20 0.32
MAPK1 P28482 3/20 0.32

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
SCHEMBL9239550 0.98 FDPS (0.41) FDPSHDAC1HDAC6CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL4982879 0.98 FDPS (0.41) FDPSHDAC1HDAC6CYP1A2CYP2C9
SCHEMBL2120550 0.77 FDPS (0.45) FDPSHDAC1HDAC6CYP1A2CYP2C9
SCHEMBL28340215 0.76 FDPS (0.44) FDPSHDAC1HDAC6CYP1A2CYP2C9
SCHEMBL27496575 0.75 FDPS (0.41) FDPSHDAC1HDAC6CYP1A2CYP2C9
SCHEMBL256372 0.74 GRM5 (0.46) FDPSHDAC1HDAC6CYP1A2CYP2C9
SCHEMBL5578780 0.74 FDPS (0.42) FDPSHDAC1HDAC6CYP1A2CYP2C9
SCHEMBL5633 0.74 FDPS (0.42) FDPSHDAC1HDAC6CYP1A2CYP2C9
SCHEMBL840562 0.74 FDPS (0.46) FDPSHDAC1HDAC6CYP1A2CYP2C9
SCHEMBL10664500 0.74 FDPS (0.46) FDPSHDAC1HDAC6CYP1A2CYP2C9

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 727 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112245440-A Use of tocotrienol derivatives 北京蔚蓝之源医药科技有限公司 2021-01-22 CN claimed
CN-109232210-A A method of it is synthesized using micro passage reaction to alkylacetophenone 濮阳市欧亚化工科技有限公司 2019-01-18 CN claimed
CN-108484605-A A kind of chloro- 9- of 2- amino -6-(4- acetoxy-3s-acetyl-o-methyl butyl)The preparation method of purine 上药康丽(常州)药业有限公司 2018-09-04 CN claimed
EP-2663309-B1 PROCESSES FOR PREPARING ISOQUINOLINONES AND SOLID FORMS OF ISOQUINOLINONES INFINITY PHARMACEUTICALS INC (US) 2017-03-15 EP claimed
CN-103648499-B Processes for preparing isoquinolinones and solid forms of isoquinolinones 无限药品股份有限公司 2017-02-15 CN claimed
US-9290497-B2 Processes for preparing isoquinolinones and solid forms of isoquinolinones INFINITY PHARMACEUTICALS, INC. (US) 2016-03-22 US claimed
CN-104031048-B A kind of β-chloroethylnitrosoureas compound and preparation method and use thereof BEIJING UNIVERSITY OF TECHNOLOGY (CN) 2016-03-09 CN claimed
CN-105294761-A Impurities of tenofovir disoproxil fumarate or tenofovir, and preparation method thereof ZHEJIANG JIUZHOU PHARMACEUTICAL TECHNOLOGY CO LTD 2016-02-03 CN claimed
CN-105153163-A 2,9-disubstituted purine-6-amino hydroxamic acid HDAC (histone deacetylase) inhibitor, preparation method and application UNIV SHANDONG 2015-12-16 CN claimed
CN-103304601-B Tenofovir disoproxil new synthetic process Chengdu Fluorine Bio-tech Co., Ltd. (CN) 2015-09-30 CN claimed
EP-1628685-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2006-03-01 EP claimed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP claimed
WO-2005023811-A1 PROCESS FOR THE PREPARATION OF (1S, 4R) -CIS-4-‘2-AMINO-6CHLORO-9H-PURIN-9-YL!-2-CYCLOPENTENE-1-METHANOL GLAXO GROUP LIMITED (GB) 2005-03-17 WO claimed
WO-2004096286-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO claimed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO claimed
EP-0861841-B1 PROCESS FOR PRODUCING 2-AMINO-6-IODOPURINE SUMIKA FINE CHEMICALS COMPANY (JP) 2001-04-04 EP claimed
US-5994541-A Process for producing 2-amino-6-iodopurine SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-11-30 US claimed
CN-1226602-A Fast culture media for mycobaterium tuberculosis and preparation thereof LIU ZHAOYUN (CN) 1999-08-25 CN claimed
EP-0861841-A1 PROCESS FOR PRODUCING 2-AMINO-6-IODOPURINE SUMIKA FINE CHEMICALS Company, Limited (JP) 1998-09-02 EP claimed
US-3939089-A PEROXYSULFATE TOKAI DENKA KOGYO KABUSHIKI KAISHA (JA) 1976-02-17 US claimed