SCHEMBL28830139

SCHEMBL28830139

Cc1ccc(-c2ccc(CN3CCOCC3)cc2C)cc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHUK O15111 6/20 0.59
MAPK8 P45983 6/20 0.59
CAMKK2 Q96RR4 6/20 0.59
INSR P06213 4/20 0.59
GRM2 Q14416 1/20 0.47
CHEK1 O14757 1/20 0.46
PARP1 P09874 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TNKS O95271 1/20 0.43
WDR5 P61964 2/20 0.43
NOS1 P29475 2/20 0.43
JAK2 O60674 1/20 0.43
PDK1 Q15118 1/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43

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
SCHEMBL30616059 0.88 HRH3 (0.57) CHUKMAPK8CAMKK2INSRCHEK1
SCHEMBL13162039 0.88 CHUK (0.53) CHUKMAPK8CAMKK2INSRPARP1
SCHEMBL28074495 0.83 CHUK (0.56) CHUKMAPK8CAMKK2INSRGRM2
SCHEMBL16935281 0.82 EZH2 (0.51) CHUKMAPK8CAMKK2INSR
SCHEMBL28187184 0.78 CYP2A13 (0.52) CHUKMAPK8CAMKK2INSRJAK2
SCHEMBL12273972 0.78 CHUK (0.52) CHUKMAPK8CAMKK2INSRPARP1
SCHEMBL13162661 0.76 HTT (0.54) CHUKMAPK8CAMKK2HRH3
SCHEMBL13634492 0.76 SMN1; SMN2 (0.50) HRH3NOS1NOS3NOS2
SCHEMBL27811750 0.75 SMN1; SMN2 (0.47) CHUKMAPK8CAMKK2INSRHRH3
SCHEMBL13270379 0.74 USP2 (0.47) CHUKMAPK8CAMKK2INSRHRH3

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-105037360-B Pyridione derivatives and its production and use 四川大学 2016-08-17 CN disclosed