SCHEMBL2743085

SCHEMBL2743085

CC(C)(C)c1nn(-c2ncccn2)c(N)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
PIK3CG P48736 2/20 0.35
MAPT P10636 6/20 0.33
LMNA P02545 2/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 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
SCHEMBL2743093 0.83 MAPT (0.45) GAAMAPTTSHRKDM4ESQOR
SCHEMBL2743088 0.80 PIK3CG (0.47) GAAPIK3CGMAPTLMNATSHR
SCHEMBL2743087 0.79 GAA (0.61) GAAMAPTLMNATSHRKDM4E
SCHEMBL2743086 0.75 LMNA (0.37) GAAMAPTLMNATSHRKDM4E
SCHEMBL8914855 0.70 HPGD (0.33) GAATSHRSMN1; SMN2HPGD
SCHEMBL13300318 0.70 PIK3CG (0.34) GAAPIK3CGMAPTLMNATSHR
SCHEMBL14227931 0.70 RIPK2 (0.39) GAAMAPTLMNATSHRKDM4E
SCHEMBL824637 0.64 KMT2A (0.54) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL8997188 0.64 GAA (0.57) GAAMAPTLMNATSHRKDM4E
SCHEMBL1006320 0.64 POLB (0.36) GABRPGABRDGABRA1GABRB1GABRG2

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-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