SCHEMBL14979407

SCHEMBL14979407

c1ccc(-c2cccc(-c3cncc(-c4ccnc(-n5c6ccccc6c6ccc7ccccc7c65)n4)c3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
MAPK10 P53779 1/20 0.33
PIK3CA P42336 1/20 0.32
DKK1 O94907 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MCL1 Q07820 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
KDM4E B2RXH2 2/20 0.31
IDO1 P14902 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
SCHEMBL14979355 0.92 PIK3CA (0.37) HCRTR1HCRTR2PIK3CADKK1PDE10A
SCHEMBL14979353 0.91 PIK3CA (0.37) HCRTR1HCRTR2PIK3CADKK1PDE10A
SCHEMBL14979351 0.91 DKK1 (0.38) HCRTR1HCRTR2PIK3CADKK1PDE10A
SCHEMBL14979404 0.91 DKK1 (0.38) HCRTR1HCRTR2PIK3CADKK1PDE10A
SCHEMBL14979431 0.91 HCRTR1 (0.38) HCRTR1HCRTR2PIK3CADKK1PDE10A
SCHEMBL14979356 0.88 DKK1 (0.37) HCRTR1HCRTR2PIK3CADKK1PDE10A
SCHEMBL14979311 0.87 HCRTR1 (0.40) HCRTR1HCRTR2DKK1PDE10AMCL1
SCHEMBL14979400 0.87 HCRTR1 (0.40) HCRTR1HCRTR2DKK1PDE10AMCL1
SCHEMBL14979360 0.86 DKK1 (0.38) HCRTR1HCRTR2PIK3CADKK1PDE10A
SCHEMBL14979376 0.86 DKK1 (0.38) HCRTR1HCRTR2PIK3CADKK1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140316136-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME ROHM & HAAS ELECT MAT (KR) 2014-10-23 US disclosed
US-20140316136-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME ROHM & HAAS ELECT MAT (KR) 2014-10-23 US disclosed
WO-2013073859-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed