SCHEMBL28058547

SCHEMBL28058547

CC(=O)Oc1csc2c(-c3ccncc3)nn(C)c(=O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ESR1 P03372 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CSF1R P07333 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
PRKCQ Q04759 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
TP53 P04637 3/20 0.34
LMNA P02545 2/20 0.34
ADK P55263 1/20 0.34

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
SCHEMBL16045978 0.79 ALDH1A1 (0.41) HSD17B10CSF1RFGFR1FLT1KDR
SCHEMBL16047469 0.79 ALDH1A1 (0.46) MAPTHSD17B10GSK3BCDK5CLK4
SCHEMBL16044197 0.78 GABRA1 (0.38) LMNAMAPK14KDM4C
SCHEMBL16047603 0.78 KDM4C (0.37) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL16081993 0.77 KDM4C (0.36) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL16045254 0.76 GRM1 (0.45) MAPTHTTTP53LMNASMN1; SMN2
SCHEMBL16044246 0.75 BRAF (0.39) GSK3BHPGDMAPK14KDM4CMAPK1
SCHEMBL16045967 0.75 TBXAS1 (0.34) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL16045854 0.75 BRAF (0.39) GSK3BHPGDMAPK14KDM4CMAPK1
SCHEMBL18759455 0.74 TP53 (0.33) MAPTHSD17B10CSF1RFGFR1FLT1

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-105358561-A Novel inhibitor compounds of phosphodiesterase type 10a ABBVIE DEUTSCHLAND 2016-02-24 CN disclosed