SCHEMBL9968079

SCHEMBL9968079

CCC(C)c1ccc2c(n1)c1ccncc1n2C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
DYRK1A Q13627 4/20 0.36
NFATC1 O95644 2/20 0.36
GSK3B P49841 2/20 0.36
ROCK2 O75116 1/20 0.34
KCNH2 Q12809 1/20 0.34
AAK1 Q2M2I8 3/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HASPIN Q8TF76 1/20 0.32
LATS1 O95835 5/20 0.32
LATS2 Q9NRM7 4/20 0.32
TOP2A P11388 1/20 0.32
KDM5A P29375 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
SCHEMBL9968083 0.86 ADORA3 (0.40) ADORA3ADORA2ADYRK1ANFATC1GSK3B
SCHEMBL9968088 0.82 DGKZ (0.32)
SCHEMBL9968087 0.77 AAK1 (0.40) ADORA3ADORA2ADYRK1ANFATC1GSK3B
SCHEMBL1609661 0.70 ADORA3 (0.54) ADORA3ADORA2ADYRK1ANFATC1GSK3B
SCHEMBL2628317 0.67 MAPK14 (0.47) ADORA3ADORA2ADYRK1ANFATC1GSK3B
SCHEMBL12045647 0.67 AAK1 (0.38) AAK1HTR2AHTR2CHTR2BHASPIN
SCHEMBL4585034 0.67 CCR1 (0.37)
SCHEMBL9968071 0.65 AAK1 (0.30) AAK1
SCHEMBL2628344 0.65 ADORA3 (0.44) ADORA3ADORA2ADYRK1ANFATC1GSK3B
SCHEMBL9968102 0.65 HDAC3 (0.30)

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