SCHEMBL19787905

SCHEMBL19787905

COC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cn2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ABL1 P00519 1/20 0.41
ADRA1D P25100 1/20 0.41
P2RX3 P56373 4/20 0.40
MDM2 Q00987 3/20 0.39
USP2 O75604 1/20 0.39
MAPK10 P53779 1/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3350219 0.85 ADRA1D (0.58) PDPK1ALDH1A1KDM4EADRA1DUSP2
SCHEMBL31418373 0.82 ADRA1D (0.52) PDPK1ALDH1A1KDM4EABL1ADRA1D
SCHEMBL3350356 0.80 KMT2A (0.50) PDPK1ALDH1A1KDM4EADRA1DUSP2
SCHEMBL15241737 0.79 BRD4 (0.54) ALDH1A1KDM4EADRA1DMAPK10POLB
SCHEMBL3348293 0.77 KDM4E (0.67) ALDH1A1KDM4EADRA1DUSP2MAPK10
SCHEMBL4387866 0.74 KDM4E (0.53) PDPK1ALDH1A1KDM4EADRA1DGAA
SCHEMBL12584181 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EP2RX3PPARGPOLB
SCHEMBL13307005 0.73 POLB (0.41) PDPK1ALDH1A1KDM4EADRA1DUSP2
SCHEMBL5183997 0.72 MAPK10 (0.52) PDPK1ALDH1A1KDM4EUSP2MAPK10
SCHEMBL15241726 0.71 ALDH1A1 (0.39) PDPK1ALDH1A1KDM4EUSP2MAPK10

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-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed