SCHEMBL13745367

SCHEMBL13745367

Cc1ccc(-c2cncs2)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.46
MAPT P10636 1/20 0.43
HPGDS O60760 1/20 0.43
PDE10A Q9Y233 1/20 0.42
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
CD38 P28907 11/20 0.41
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
TDO2 P48775 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 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
SCHEMBL4541085 0.78 CD38 (0.49) DYRK1AMAPTDYRK2DYRK1BCD38
SCHEMBL6729040 0.77 DYRK1A (0.49) DYRK1AMAPTPDE10ADYRK2DYRK1B
SCHEMBL4020749 0.77 PIK3CD (0.50) DYRK1AMAPTDYRK1BCD38CHEK1
SCHEMBL18927620 0.77 MAPT (0.44) DYRK1AMAPTDYRK2DYRK1BCD38
SCHEMBL676678 0.77 HPGDS (0.56) HPGDSPDE10APIK3CDPIK3CAPIK3CB
SCHEMBL13727954 0.75 CD38 (0.47) DYRK1AMAPTDYRK2DYRK1BCD38
SCHEMBL17051516 0.74 HPGDS (0.54) HPGDSPDE10APIK3CDPIK3CAPIK3CB
SCHEMBL14088054 0.73 CYP2C9 (0.55) MAPTHPGDSCHEK1CHEK2NPC1
SCHEMBL18467734 0.72 HPGDS (0.44) MAPTHPGDSPDE10APIK3CDPIK3CA
SCHEMBL6260 0.72 DYRK1A (0.43) DYRK1AMAPTDYRK2DYRK1BCD38

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
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed