SCHEMBL2743093

SCHEMBL2743093

CC(C)(C)c1nn(-c2ccccn2)c(N)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
FLT3 P36888 6/20 0.41
PLK4 O00444 1/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41
INSR P06213 1/20 0.41
ROS1 P08922 1/20 0.41
PIM1 P11309 1/20 0.41
PHKG2 P15735 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AKT1 P31749 1/20 0.41
CSNK1D P48730 1/20 0.41
CLK2 P49760 1/20 0.41
IRAK1 P51617 1/20 0.41
CDK5 Q00535 1/20 0.41
MAP4K2 Q12851 1/20 0.41
STK3 Q13188 1/20 0.41

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
SCHEMBL2743085 0.83 GAA (0.38) MAPTKDM4EGAAMEN1ALDH1A1
SCHEMBL2743094 0.82 MAPT (0.58) MAPTKDM4EFLT3PLK4ROCK2
SCHEMBL2743087 0.80 GAA (0.61) MAPTKDM4EGAANPC1RAB9A
SCHEMBL14231227 0.80 MAPT (0.52) MAPTKDM4EFLT3PLK4ROCK2
SCHEMBL8914681 0.77 PLAUR (0.51) MAPTKDM4EFLT3PLK4ROCK2
SCHEMBL6343960 0.76 MAPT (0.56) MAPTKDM4EFLT3PLK4ROCK2
SCHEMBL8915986 0.75 L3MBTL1 (0.54) MAPTKDM4EFLT3PLK4ROCK2
SCHEMBL18988361 0.73 ADORA1 (0.48) MAPTKDM4EFLT3PLK4ROCK2
SCHEMBL1075871 0.73 MAPT (0.47) MAPTKDM4EFLT3PLK4ROCK2
SCHEMBL13996855 0.72 KDM4E (0.41) MAPTKDM4EPKMMEN1ALDH1A1

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-8202327-B2 Pigment composition, inkjet recording ink, coloring composition for color filter, and color filter FUJIFILM CORPORATION (JP) 2012-06-19 US disclosed
US-20120001133-A1 PIGMENT COMPOSITION, INKJET RECORDING INK, COLORING COMPOSITION FOR COLOR FILTER, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed
EP-1906401-A2 Optical information recording medium and azo-metal complex dye Fujifilm Corporation (JP) 2008-04-02 EP disclosed