SCHEMBL4016987

SCHEMBL4016987

COc1nc(SC)nc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
PDPK1 O15530 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
LRRK2 Q5S007 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35

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
SCHEMBL7016051 0.83 LRRK2 (0.42) MAPTALDH1A1L3MBTL1MEN1RECQL
SCHEMBL7019238 0.80 L3MBTL1 (0.40) MAPTALDH1A1SMN1; SMN2CCNA2CDK2
SCHEMBL16612806 0.77 EGFR (0.41) PDPK1ADORA2AADORA1LRRK2MKNK1
SCHEMBL27393525 0.77 DYRK1A (0.44) CDK9PDPK1ADORA2AADORA1LRRK2
SCHEMBL14029857 0.77 ADORA2A (0.43) MAPTALDH1A1L3MBTL1ADORA2AADORA1
SCHEMBL16446295 0.76 PDPK1 (0.39) MAPTSMN1; SMN2PDPK1ADORA2AADORA1
SCHEMBL10012874 0.76 ADORA2A (0.39) MAPTALDH1A1SMN1; SMN2L3MBTL1ADORA2A
SCHEMBL7655789 0.76 DYRK1A (0.42) MAPTALDH1A1L3MBTL1ADORA2AADORA1
SCHEMBL7958023 0.76 HRH4 (0.45) PDPK1ADORA2AADORA1MKNK1MKNK2
SCHEMBL2564796 0.76 ADORA2A (0.42) MAPTALDH1A1SMN1; SMN2L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2014659-A1 New hybrid compounds of nucleobases and organic redox molecules and their use Universität Osnabrück (DE) 2009-01-14 EP disclosed
WO-2008148560-A1 NEW HYBRID COMPOUNDS OF NUCLEOBASES AND ORGANIC REDOX MOLECULES AND THEIR USE Universität Osnabrück (DE) 2008-12-11 WO disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-6211158-B1 Desazapurine-nucleotide derivatives, processes for the preparation thereof, pharmaceutical compositions containing them and the use thereof for nucleic acid sequencing and as antiviral agents ROCHE DIAGNOSTICS GMBH (DE) 2001-04-03 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed
EP-0286028-B1 Derivatives of disazapurine nucleosides, process for their preparation and their use in the sequence analysis of nucleic acids and as antiviral agents BOEHRINGER MANNHEIM GMBH (DE) 1995-06-28 EP disclosed