SCHEMBL3172854

SCHEMBL3172854

N#Cc1cccc(-c2c(F)ccnc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 2/20 0.56
▸ MAOB P27338 1/20 0.49
▸ GABRG2 P18507 6/20 0.47
▸ GABRB3 P28472 6/20 0.47
▸ GABRA5 P31644 6/20 0.47
▸ GABRA3 P34903 6/20 0.47
▸ NOTUM Q6P988 1/20 0.45
▸ GRM5 P41594 1/20 0.44
▸ GABRA1 P14867 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ EGLN2 Q96KS0 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL24085349 0.83 CLK4 (0.52) CLK4MAOBGABRG2GABRB3GABRA5
SCHEMBL21928392 0.79 CLK4 (0.54) CLK4MAOBGABRG2GABRB3GABRA5
SCHEMBL22760898 0.78 CLK4 (0.50) CLK4MAOBGABRG2GABRB3GABRA5
SCHEMBL22148799 0.77 CLK4 (0.50) CLK4MAOBGABRG2GABRB3GABRA5
SCHEMBL29620507 0.77 CLK4 (0.59) CLK4MAOBGABRG2GABRB3GABRA5
SCHEMBL23228524 0.77 CLK4 (0.59) CLK4MAOBGABRG2GABRB3GABRA5
SCHEMBL21929166 0.77 IDO1 (0.55) CLK4MAOBGABRG2GABRB3GABRA5
SCHEMBL19579268 0.76 GABRG2 (0.51) CLK4MAOBGABRG2GABRB3GABRA5
SCHEMBL16127479 0.75 CLK4 (0.52) CLK4MAOBGABRG2GABRB3GABRA5
SCHEMBL19579216 0.74 ADRA2C (0.47) CLK4MAOBGABRG2GABRB3GABRA5

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-7776458-B2 Used for forming an organic layer of the organic electroluminescent device, can emit light in the wavelength range of 400-650 nm, and induce white electroluminescence when combined with green or red luminescent materials; heat resistance; highly efficient Used for forming phospholuminescence; OLEDs SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2010-08-17 — — US disclosed
US-20060228582-A1 Used for forming an organic layer of the organic electroluminescent device, can emit light in the wavelength range of 400-650 nm, and induce white electroluminescence when combined with green or red luminescent materials; heat resistance; highly efficient Used for forming phospholuminescence; OLEDs SAMSUNG DISPLAY CO., LTD. (KR) 2006-10-12 — — US disclosed
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