SCHEMBL2070779

SCHEMBL2070779

O=C1Cc2c(ccc3nc[nH]c23)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.36
SRC P12931 2/20 0.35
AHR P35869 3/20 0.34
PDK2 Q15119 1/20 0.34
CMA1 P23946 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
GSK3B P49841 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
GSK3A P49840 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM3A Q9Y4C1 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
SCHEMBL5873807 0.75 AHR (0.35) AHRPDK2CMA1PDE3BPDE3A
SCHEMBL5873892 0.73 GSK3B (0.37) SRCAHRPDK2CMA1PDE3B
SCHEMBL18289479 0.73 AHR (0.50) AHRPDK2CMA1PDE3BPDE3A
SCHEMBL4865627 0.71 TDP2 (0.47) AHRCMA1ALDH1A1PARP1
SCHEMBL5873762 0.69 MAP3K11 (0.40) AHRPDK2CMA1PDE3BPDE3A
SCHEMBL5773101 0.69 GSK3B (0.51) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL1374558 0.69 PRKCI (0.44) ALDH1A1PARP1CHEK1PIM1AKT1
SCHEMBL31451620 0.67 CDK5 (0.41) CDK5ALDH1A1KDM4AKDM4BKDM5C
SCHEMBL4528223 0.67 GRIA1 (0.46) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL18962468 0.66 CCNB2 (0.44) AHRPDK2CMA1GSK3BCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2674462-B1 Ink, ink cartridge and ink jet recording method CANON KK (JP) 2016-12-14 EP disclosed
CN-103509408-B Ink, ink cartridge, and ink jet recording method CANON KK 2015-03-25 CN disclosed
US-8814341-B2 Ink, ink cartridge and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2014-08-26 US disclosed
CN-103509408-A Ink, ink cartridge, and ink jet recording method CANON KK 2014-01-15 CN disclosed
US-20130335490-A1 INK, INK CARTRIDGE AND INK JET RECORDING METHOD CANON KABUSHIKI KAISHA (JP) 2013-12-19 US disclosed
EP-2674462-A1 Ink, ink cartridge and ink jet recording method Canon Kabushiki Kaisha (JP) 2013-12-18 EP disclosed
US-8556406-B2 Coloring matter consisting of trisazo compound, ink compositions, recording method, and colored body NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-10-15 US disclosed
US-20120120148-A1 COLORING MATTER CONSISTING OF TRISAZO COMPOUND, INK COMPOSITIONS, RECORDING METHOD, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-17 US disclosed
US-20110050787-A1 TRISAZO COMPOUND, INK COMPOSITION, RECORDING METHOD AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-03-03 US disclosed
US-6402926-B1 FORMING METAL BY ELECTROLYSIS OF METAL OXIDE MOLTECH INVENT S.A. (LU) 2002-06-11 US disclosed
EP-0633871-B1 REFRACTORY PROTECTIVE COATINGS, PARTICULARLY FOR ELECTROLYTIC CELL COMPONENTS MOLTECH INVENT SA (LU) 1998-07-15 EP disclosed
US-5527442-A HAVING COATING CONTAINING RARE EARTH OXIDES INTIMATELY MIXED WITH BORIDES, SILICIDES, NITRIDES, ALUMINIDES, CARBIDES, PHOSPHIDES, OXIDES, ALLOYS OR INTERMETALLICS OF SPECIFIED ELEMENTS MOLTECH INVENT S.A. (LU) 1996-06-18 US disclosed
EP-0633871-A1 REFRACTORY PROTECTIVE COATINGS, PARTICULARLY FOR ELECTROLYTIC CELL COMPONENTS MOLTECH Invent S.A. (LU) 1995-01-18 EP disclosed
US-5340448-A Aluminum electrolytic cell method with application of refractory protective coatings on cello components MOLTECH INVENT S.A. (LU) 1994-08-23 US disclosed
US-5310476-A Micropyretic reaction MOLTECH INVENT S.A. (LU) 1994-05-10 US disclosed
WO-1993020027-A1 REFRACTORY PROTECTIVE COATINGS, PARTICULARLY FOR ELECTROLYTIC CELL COMPONENTS MOLTECH INVENT S.A. (LU) 1993-10-14 WO disclosed