SCHEMBL2582293

SCHEMBL2582293

CN(C)c1cccnc1-c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
MAPK14 Q16539 4/20 0.40
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
RUNX1 Q01196 1/20 0.38
AKT1 P31749 1/20 0.36
KMO O15229 1/20 0.35
ADORA1 P30542 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TDO2 P48775 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ADORA2A P29274 1/20 0.35
PTAFR P25105 1/20 0.34
GPBAR1 Q8TDU6 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
SCHEMBL19072688 0.80 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL19248544 0.79 ALDH1A1 (0.46) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL28625537 0.78 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL29432338 0.77 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL15674427 0.76 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11KIT
SCHEMBL4121669 0.76 CCNE2 (0.36) RORCRUNX1MEN1KMT2AALDH1A1
SCHEMBL27843562 0.76 MAPK13 (0.42) RORCMAPK14MAPK13MAPK12MAPK11
SCHEMBL12304103 0.75 P2RY1 (0.44) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL19072691 0.73 TRPV1 (0.46) RORCMAPK14MAPK13MAPK12MAPK11
SCHEMBL12712571 0.73 PTAFR (0.43) MAPK14MAPK13MAPK12MAPK11KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048537-B2 Cyclometalated transition metal complex and organic light emitting device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-11-01 US disclosed
US-20070184303-A1 Cyclometalated transition metal complex and organic light emitting device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-08-09 US disclosed