SCHEMBL14979431

SCHEMBL14979431

c1ccc(-c2cccc(-c3ccc(-c4ccnc(-n5c6ccccc6c6ccc7ccccc7c65)n4)cc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
DKK1 O94907 2/20 0.36
PDE10A Q9Y233 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PTK2B Q14289 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK8 P45983 2/20 0.35
PIK3CG P48736 2/20 0.35
GSK3B P49841 2/20 0.35
CAMKK2 Q96RR4 2/20 0.35
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PIK3CA P42336 1/20 0.34
AURKA O14965 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PRKACA P17612 1/20 0.34
ADORA2A P29274 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL14979404 0.98 DKK1 (0.38) HCRTR1HCRTR2DKK1PDE10AMAPT
SCHEMBL14979351 0.98 DKK1 (0.38) HCRTR1HCRTR2DKK1PDE10AMAPT
SCHEMBL14979355 0.97 PIK3CA (0.37) HCRTR1HCRTR2DKK1PDE10APLG
SCHEMBL14979353 0.95 PIK3CA (0.37) HCRTR1HCRTR2DKK1PDE10APLG
SCHEMBL14979311 0.95 HCRTR1 (0.40) HCRTR1HCRTR2DKK1PDE10AMAPT
SCHEMBL14979400 0.95 HCRTR1 (0.40) HCRTR1HCRTR2DKK1PDE10AMAPT
SCHEMBL14979356 0.94 DKK1 (0.37) HCRTR1HCRTR2DKK1PDE10AMAPT
SCHEMBL14979320 0.92 DKK1 (0.38) HCRTR1HCRTR2DKK1PDE10AMAPT
SCHEMBL14979360 0.92 DKK1 (0.38) HCRTR1HCRTR2DKK1PDE10AMAPT
SCHEMBL14979376 0.92 DKK1 (0.38) HCRTR1HCRTR2DKK1PDE10AMAPT

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