SCHEMBL19787910

SCHEMBL19787910

CCOC(=O)c1cccn(Cc2ccc(C)c(F)c2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDPK1 O15530 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL13306422 0.92 PDPK1 (0.50) LMNATP53RXFP1MAPTPDPK1
SCHEMBL13306583 0.88 LMNA (0.51) LMNATP53RXFP1MAPTHTT
SCHEMBL13306599 0.87 SMN1; SMN2 (0.47) LMNATP53RXFP1MAPTHTT
SCHEMBL19787908 0.85 SMN1; SMN2 (0.50) LMNAMAPTHTTNPSR1PDPK1
SCHEMBL13306839 0.84 MAPT (0.49) LMNATP53RXFP1MAPTHTT
SCHEMBL4994990 0.84 MAPT (0.50) LMNATP53RXFP1MAPTHTT
SCHEMBL19787912 0.83 MAPT (0.54) LMNATP53RXFP1MAPTSMN1; SMN2
SCHEMBL11662580 0.82 KDM4E (0.59) LMNATP53MAPTHTTPDPK1
SCHEMBL13306606 0.80 KDM4E (0.68) LMNATP53RXFP1MAPTHTT
SCHEMBL13306800 0.80 MAPT (0.56) MAPTPDPK1SMN1; SMN2ALDH1A1KDM4E

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