SCHEMBL22705238

SCHEMBL22705238

N#Cc1cncc(C#N)c1-n1c2ccc(-c3ccccn3)cc2c2cc(-c3ccccn3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
GRM5 P41594 5/20 0.39
GRIA1 P42261 1/20 0.38
GRIA3 P42263 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP2A6 P11509 1/20 0.37
PLAUR Q03405 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CSNK2A2 P19784 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
TGFBR1 P36897 2/20 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
SCHEMBL22705237 0.94 GRM5 (0.42) CHEK1GRM5GRIA1GRIA3PDE4D
SCHEMBL25837041 0.84 NPY5R (0.40) CHEK1GRM5GRIA1GRIA3PDE4D
SCHEMBL25837042 0.84 NPY5R (0.40) CHEK1GRM5GRIA1GRIA3PDE4D
SCHEMBL23343985 0.80 NPY5R (0.43) CHEK1GRM5CYP11B2MAPTALDH1A1
SCHEMBL22705232 0.80 GRM5 (0.39) CHEK1GRM5GRIA1GRIA3PDE4D
SCHEMBL22454895 0.79 GRM5 (0.44) GRM5MAPTALDH1A1TGFBR1
SCHEMBL31272891 0.78 PLAUR (0.40) CHEK1GRM5GRIA1GRIA3PDE4D
SCHEMBL23344067 0.77 NPY5R (0.41) CHEK1GRM5GRIA1GRIA3PDE4D
SCHEMBL23344028 0.76 NPY5R (0.44) CHEK1GRM5CYP11B2MAPTALDH1A1
SCHEMBL23344063 0.76 NPY5R (0.38) CHEK1GRM5CYP11B2ALDH1A1GAA

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-20200373509-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-26 US disclosed