SCHEMBL22705237

SCHEMBL22705237

N#Cc1ccc2c(c1)c1cc(-c3ccccn3)ccc1n2-c1c(C#N)cncc1C#N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.42
TGFBR1 P36897 1/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
HRH1 P35367 1/20 0.37
HTR6 P50406 1/20 0.37
CHEK1 O14757 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
GRIA1 P42261 1/20 0.35
GRIA3 P42263 1/20 0.35
PDE4D Q08499 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
SCHEMBL22705238 0.94 CHEK1 (0.40) GRM5TGFBR1CHEK1ALDH1A1MAPT
SCHEMBL22454895 0.86 GRM5 (0.44) GRM5TGFBR1METAP2METAP1KDM4E
SCHEMBL22705292 0.82 GRM5 (0.40) GRM5TGFBR1METAP2METAP1HRH1
SCHEMBL22705272 0.82 GRM5 (0.40) GRM5TGFBR1METAP2METAP1HRH1
SCHEMBL25837041 0.79 NPY5R (0.40) GRM5TGFBR1METAP2CHEK1ALDH1A1
SCHEMBL25837042 0.79 NPY5R (0.40) GRM5TGFBR1METAP2CHEK1ALDH1A1
SCHEMBL22705234 0.79 GRM5 (0.46) GRM5TGFBR1METAP2METAP1CHEK1
SCHEMBL23296374 0.76 KDM4E (0.43) GRM5METAP2METAP1KDM4EALDH1A1
SCHEMBL22705188 0.76 GRM5 (0.45) GRM5METAP2METAP1CHEK1
SCHEMBL31272615 0.76 KDM4E (0.43) GRM5METAP2METAP1KDM4EALDH1A1

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