SCHEMBL9968119

SCHEMBL9968119

CCC(C)c1ncc2c(n1)c1ncccc1n2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
PDE10A Q9Y233 3/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDE1A P54750 3/20 0.32
PDE1B Q01064 3/20 0.32
PDE1C Q14123 3/20 0.32
TLR7 Q9NYK1 2/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL2628342 0.73 ADORA3 (0.54) ADORA3ADORA2AMAPK14GABRPGABRD
SCHEMBL9968121 0.73 ADORA3 (0.36) ADORA3ADORA2APDE10AMAPK14TLR7
SCHEMBL9968130 0.71 ADORA2A (0.40) ADORA3ADORA2APDE10AMAPK14TLR7
SCHEMBL9968125 0.71 ADORA3 (0.37) ADORA3ADORA2APDE10AMAPK14TLR7
SCHEMBL9968108 0.70 PDE10A (0.44) ADORA3ADORA2APDE10AMAPK14TLR7
SCHEMBL9353419 0.69 PDE1A (0.36) PDE1APDE1BPDE1C
SCHEMBL2628391 0.68 MAPK14 (0.44) ADORA3ADORA2APDE10AMAPK14GABRP
SCHEMBL9968097 0.67 ADORA3 (0.41) ADORA3ADORA2APDE10AMAPK14GABRP
SCHEMBL261936 0.66 KDM4E (0.40) ADORA3ADORA2AMAPK14HTR2AHTR2C
SCHEMBL9968088 0.66 DGKZ (0.32)

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-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed