SCHEMBL9968083

SCHEMBL9968083

CC(C)c1ccc2c(n1)c1ccncc1n2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ROCK2 O75116 3/20 0.37
DYRK1A Q13627 5/20 0.36
NFATC1 O95644 3/20 0.36
GSK3B P49841 3/20 0.36
ATM Q13315 1/20 0.34
KCNH2 Q12809 1/20 0.34
TOP2A P11388 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
KDM4E B2RXH2 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MAPT P10636 1/20 0.31
CDC7 O00311 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
SCHEMBL9968079 0.86 ADORA3 (0.36) ADORA3ADORA2AROCK2DYRK1ANFATC1
SCHEMBL9968102 0.80 HDAC3 (0.30)
SCHEMBL1609661 0.74 ADORA3 (0.54) ADORA3ADORA2AROCK2DYRK1ANFATC1
SCHEMBL2628317 0.71 MAPK14 (0.47) ADORA3ADORA2AROCK2DYRK1ANFATC1
SCHEMBL2628344 0.69 ADORA3 (0.44) ADORA3ADORA2AROCK2DYRK1ANFATC1
SCHEMBL2628358 0.68 ADORA3 (0.49) ADORA3ADORA2AROCK2DYRK1ANFATC1
SCHEMBL25899284 0.67 ADORA3 (0.39) ADORA3ADORA2AROCK2DYRK1ANFATC1
SCHEMBL280032 0.66 GPR3 (0.64) ADORA3ADORA2AROCK2DYRK1ANFATC1
SCHEMBL30929605 0.66 GPR3 (0.64) ADORA3ADORA2AROCK2DYRK1ANFATC1
SCHEMBL29358773 0.66 GPR3 (0.64) ADORA3ADORA2AROCK2DYRK1ANFATC1

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