SCHEMBL14979347

SCHEMBL14979347

c1ccc(-c2cccc(-c3cccc(-c4cnc(-n5c6ccc(-c7ccccc7)cc6c6ccc7ccccc7c65)nc4)c3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
PLAU P00749 2/20 0.34
NR3C1 P04150 1/20 0.34
PLG P00747 1/20 0.34
MET P08581 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LIMK1 P53667 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL14979314 0.94 FGFR1 (0.35) MAPK10PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL14979358 0.93 NPC1 (0.35) MAPK10PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL16186880 0.92 NPC1 (0.31) MAPK10PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL14979401 0.90 NPC1 (0.35) MAPK10PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL14979397 0.90 NPC1 (0.35) MAPK10PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL14979432 0.90 NR3C1 (0.39) PIK3CDPIK3CAMTORNR3C1CYP1A2
SCHEMBL14979354 0.89 KIF11 (0.33) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL14979357 0.89 NPC1 (0.37) MAPK10PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL14979379 0.89 CYP19A1 (0.35) MAPK10PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL14979312 0.86 DUSP3 (0.34) MAPK10METNPC1RAB9ASMN1; SMN2

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