SCHEMBL16622278

SCHEMBL16622278

Cc1ccccc1-c1nc(C)c(-c2ccc(C(F)(F)F)cc2)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
TOP1 P11387 2/20 0.43
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
DPP4 P27487 1/20 0.41
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DHODH Q02127 2/20 0.40
BACE1 P56817 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MAOB P27338 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TNKS O95271 1/20 0.37

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
SCHEMBL15256056 0.87 TDP1 (0.44) DPP4MEN1KMT2AADORA2ATDP1
SCHEMBL14307205 0.87 ALDH1A1 (0.44) DPP4MEN1KMT2AADORA2ATDP1
SCHEMBL13072021 0.84 ADORA1 (0.42) DPP4MAPK14MEN1KMT2AADORA2A
SCHEMBL16948895 0.84 CYP1A2 (0.40) KIF11TOP1MAPK14DHODHTRPV1
SCHEMBL14317959 0.83 ALDH1A1 (0.44) DPP4MEN1KMT2AADORA2ATDP1
SCHEMBL15256053 0.80 TOP1 (0.44) KIF11TOP1AKT1AKT2DPP4
SCHEMBL13211941 0.80 ALDH1A1 (0.47) DPP4MEN1KMT2AADORA2ATDP1
SCHEMBL15256052 0.79 DPP4 (0.41) DPP4MEN1KMT2AADORA2AMAOB
SCHEMBL16622243 0.79 ADORA2A (0.48) AKT1DPP4MEN1KMT2ABACE1
SCHEMBL15256095 0.79 KDM4E (0.40) DPP4MEN1KMT2AADORA2AADORA1

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