SCHEMBL6169525

SCHEMBL6169525

Nc1[c]ccc(-c2ncccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
PIK3CD O00329 1/20 0.41
PIP5K1C O60331 1/20 0.41
PIK3CG P48736 1/20 0.41
CLK4 Q9HAZ1 3/20 0.39
DYRK1A Q13627 1/20 0.39
ADRB2 P07550 1/20 0.38
CYP2A6 P11509 1/20 0.36
DHFR P00374 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HDAC4 P56524 1/20 0.31
MAP4K4 O95819 1/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL8657943 0.82 HSP90AA1 (0.34) HSP90AA1
SCHEMBL6167747 0.79 PI4KA (0.45) PI4KAPI4KBPIK3CDPIK3CGCYP2A6
SCHEMBL22130307 0.76 CLK4 (0.39) PI4KAPI4KBPIK3CDPIP5K1CPIK3CG
SCHEMBL6169243 0.73 LMNA (0.46) PI4KAPI4KBPIK3CDPIP5K1CPIK3CG
SCHEMBL3296186 0.72 MAOA (0.48) PI4KAPI4KBDHFRHSP90AA1MAP4K4
SCHEMBL6166769 0.72 MKNK1 (0.58) PI4KAPI4KBPIK3CDPIP5K1CDYRK1A
SCHEMBL22130292 0.72 CLK4 (0.51) CLK4DYRK1ACYP2A6CYP19A1
SCHEMBL9044445 0.71 PDPK1 (0.47) ADRB2CYP2A6NOS1HSP90AA1HDAC4
SCHEMBL6033529 0.71 HSP90AA1 (0.39) PIK3CDCLK4DHFRHSP90AA1MAP4K4
SCHEMBL22130125 0.69 ADRB2 (0.44) PI4KAPI4KBPIK3CDPIP5K1CPIK3CG

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-1542975-A2 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-06-22 EP disclosed
EP-1532210-A1 RYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 2005-05-25 EP disclosed
EP-1513841-A1 1,6,9,14-TETRASUBSTITUTED TERRYLENE TETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-03-16 EP disclosed
WO-2004029028-A2 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES AS DYESTUFFS BASF AKTIENGESELLSCHAFT (DE) 2004-04-08 WO disclosed
WO-2004026965-A1 RYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 2004-04-01 WO disclosed
EP-1373214-A1 RYLENE DERIVATIVES AND THEIR USE AS DYES BASF AKTIENGESELLSCHAFT (DE) 2004-01-02 EP disclosed
WO-2003104232-A1 1,6,9,14-TETRASUBSTITUTED TERRYLENE TETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 2003-12-18 WO disclosed
EP-1370612-A2 THERMOCHROMIC RYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 2003-12-17 EP disclosed
WO-2002068538-A2 THERMOCHROMIC RYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 2002-09-06 WO disclosed
WO-2002066438-A1 RYLENE DERIVATIVES AND THEIR USE AS DYES BASF AKTIENGESELLSCHAFT (DE) 2002-08-29 WO disclosed
EP-1206456-A1 THERMOCHROMIC RYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 2002-05-22 EP disclosed
WO-2001016109-A1 THERMOCHROMIC RYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 2001-03-08 WO disclosed