SCHEMBL28550650

SCHEMBL28550650

N#Cc1cccc(C#N)c1.c1ccc(-c2ccnc(-n3c4ccccc4c4ccccc43)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.46
TDO2 P48775 1/20 0.44
CLK4 Q9HAZ1 4/20 0.42
USP30 Q70CQ3 2/20 0.42
ADORA2A P29274 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
PTGER4 P35408 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL24367971 0.86 COMT (0.44) TDO2USP30ALDH1A1LMNA
SCHEMBL28366539 0.85 KDM4E (0.40) GRM5TDO2USP30ADORA2APTGER4
SCHEMBL29010411 0.83 PTGER4 (0.46) GRM5TDO2CLK4PTGER4
SCHEMBL17296985 0.83 GABRA1 (0.41) GRM5TDO2USP30GABRA1GABRG2
SCHEMBL17721825 0.81 ADORA2A (0.46) GRM5CLK4ADORA2AGABRA1GABRG2
SCHEMBL21397042 0.81 GRM5 (0.46) GRM5TDO2PTGER4
SCHEMBL17721905 0.80 ADORA2A (0.45) GRM5CLK4ADORA2AGABRA1GABRG2
SCHEMBL21396972 0.80 GRM5 (0.43) GRM5TDO2PTGER4
SCHEMBL17721836 0.77 GRM5 (0.45) GRM5TDO2CLK4ADORA2APTGER4
SCHEMBL16178850 0.77 L3MBTL1 (0.46) USP30PTGER4ALDH1A1LMNAMEN1

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
CN-112585239-A Top emission type printed display with quantum dots and thermally activated delayed fluorescence molecules 纳米技术有限公司 2021-03-30 CN claimed