SCHEMBL16622236

SCHEMBL16622236

Cc1cc(F)ccc1-c1nc(C)c(-c2ccc(F)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
HSP90AB1 P08238 5/20 0.39
GRM5 P41594 1/20 0.39
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
NMT1 P30419 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
TLR8 Q9NR97 1/20 0.36
MAPK10 P53779 1/20 0.36
HMGCR P04035 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL14317985 0.93 DHODH (0.42) MAPK14ADORA1MAPK10
SCHEMBL15256075 0.90 MAPK14 (0.41) MAPK14ADORA2AADORA2BADORA1HSP90AB1
SCHEMBL15256065 0.88 DHODH (0.39) MAPK14ADORA1
SCHEMBL15256077 0.84 MAPK14 (0.42) MAPK14ADORA2A
SCHEMBL15256078 0.84 PDK2 (0.38) MAPK14MAPK10
SCHEMBL16622229 0.83 PDK2 (0.38) MAPK14MAPK10
SCHEMBL13072021 0.81 ADORA1 (0.42) MAPK14ADORA2AADORA1MAPK10
SCHEMBL16948895 0.78 CYP1A2 (0.40) MAPK14
SCHEMBL16948786 0.77 ALDH1A1 (0.44) ADORA2AADORA1
SCHEMBL15256069 0.75 TDP1 (0.51) ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999520-B2 Organometallic complex and light emitting element, light emitting device, and electronic device using the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-04-07 US disclosed