SCHEMBL1128219

SCHEMBL1128219

O=C1[N]C=Nc2[nH]ncc21

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.31
CDK1 P06493 1/20 0.31
LYN P07948 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
RPS6KB1 P23443 1/20 0.31
CDK2 P24941 1/20 0.31
MARK3 P27448 1/20 0.31
AKT1 P31749 1/20 0.31
GSK3B P49841 1/20 0.31
RPS6KA3 P51812 1/20 0.31
PRKCZ Q05513 1/20 0.31
PRKCD Q05655 1/20 0.31
ERBB4 Q15303 1/20 0.31
CDC42BPA Q5VT25 1/20 0.31
MARK2 Q7KZI7 1/20 0.31
AKT3 Q9Y243 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
SCHEMBL9436834 0.67 MAPK13 (0.33) AURKACDK1LYNPIM1FGFR1
SCHEMBL1437770 0.62
SCHEMBL4190693 0.60 CHEK1 (0.32)
SCHEMBL336074 0.60
SCHEMBL1064468 0.58 SLC2A1 (0.36)
SCHEMBL5816913 0.57 AURKA (0.30) AURKACDK1LYNPIM1FGFR1
SCHEMBL7831389 0.57
SCHEMBL18304700 0.54 CES1 (0.37)
SCHEMBL9297171 0.54 GSK3B (0.39) AURKACDK1LYNPIM1FGFR1
SCHEMBL11831515 0.54 IDO1 (0.43) AURKACDK1LYNPIM1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006086545-A2 METHOD TO IDENTIFY NOVEL THERAPEUTICS DESIMONE ROBERT W (US) 2006-08-17 WO claimed
EP-3240791-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS Forma Therapeutics, Inc. (US) 2017-11-08 EP disclosed
WO-2016109515-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-07-07 WO disclosed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed
EP-2035006-A1 USE OF ALLOPURINOL FOR THE TREATMENT OF PALMAR PLANTAR ERYTHRODYSESTHESIA Nobera Pharma, S.L. (ES) 2009-03-18 EP disclosed
WO-2007138103-A1 USE OF ALLOPURINOL FOR THE TREATMENT OF PALMAR PLANTAR ERYTHRODYSESTHESIA NOBERA PHARMA, S.L. (ES) 2007-12-06 WO disclosed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2007041388-A2 PREVENTION AND TREATMENT OF HEARING DISORDERS CYPRESS BIOSCIENCE, INC (US) 2007-04-12 WO disclosed
WO-2007012064-A2 PREVENTION AND TREATMENT OF HEARING DISORDERS CYPRESS BIOSCIENCE, INC. (US) 2007-01-25 WO disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO disclosed
EP-1572097-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-09-14 EP disclosed
WO-2005065668-A2 TOPICAL COMPOSITIONS COMPRISING HALO-DEOXYADENOSINES FOR TREATMENT OF SKIN DISORDERS QLT USA, INC. (US) 2005-07-21 WO disclosed
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 EP disclosed
WO-2004028481-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2004-04-08 WO disclosed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 WO disclosed
WO-1997025988-A1 METHODS OF TREATING OR PREVENTING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed