SCHEMBL30898666

SCHEMBL30898666

NC(=O)c1cccc(-c2ccc3c(c2)NCC32CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.45
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PDK2 Q15119 1/20 0.39
ERN1 O75460 2/20 0.39
EZH2 Q15910 1/20 0.37
MAPK14 Q16539 2/20 0.37
HPGD P15428 1/20 0.37
BRD4 O60885 2/20 0.37
CRBN Q96SW2 1/20 0.37
ABL1 P00519 2/20 0.36
CCNT1 O60563 1/20 0.36
CCND1 P24385 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36

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
SCHEMBL30898640 0.88 TDP2 (0.46) TDP2PDK2ERN1MAPK14BRD4
SCHEMBL30468541 0.88 TSHR (0.40) PDK2EZH2MAPK14BRD4CCNC
SCHEMBL30898703 0.84 TDP2 (0.46) TDP2PDK2ERN1EZH2MAPK14
SCHEMBL30898648 0.79 MAPK14 (0.56) TDP2MAPK14
SCHEMBL15129836 0.79 KDM1A (0.39) PDK2MAPK14CCNCCDK8
SCHEMBL17444524 0.78 KDM1A (0.43) PDK2MAPK14BRD4
SCHEMBL30898683 0.78 TDP2 (0.43) TDP2STK4STK3LRRK2PDK2
SCHEMBL31390939 0.74 MAPK14 (0.43) PDK2MAPK14
SCHEMBL22058140 0.73 KDM1A (0.40) PDK2MAPK14
SCHEMBL30898644 0.73 TDP2 (0.43) TDP2STK4STK3LRRK2PDK2

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-113330008-B Preparation method of amide compound and application of amide compound in medicine field 上海华汇拓医药科技有限公司 2024-05-07 CN disclosed