SCHEMBL28015693

SCHEMBL28015693

Cl[CH]c1ccc2ncsc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.49
DYRK1B Q9Y463 16/20 0.49
DYRK2 Q92630 15/20 0.49
CLK1 P49759 15/20 0.49
CSNK2A2 P19784 2/20 0.49
CSNK2B P67870 2/20 0.49
CSNK2A1 P68400 2/20 0.49
CLK4 Q9HAZ1 13/20 0.48
PIK3CD O00329 1/20 0.48
PRKCB P05771 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
HASPIN Q8TF76 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL27362369 0.85 ALDH1A1 (0.45) DYRK1ADYRK1BDYRK2CLK1CSNK2A2
SCHEMBL1418925 0.81 DYRK1A (0.52) DYRK1ADYRK1BDYRK2CLK1CSNK2A2
SCHEMBL7218352 0.81 DYRK1A (0.49) DYRK1ADYRK1BDYRK2CLK1CSNK2A2
SCHEMBL19140129 0.81 DYRK1A (0.52) DYRK1ADYRK1BDYRK2CLK1CSNK2A2
SCHEMBL27980410 0.81 DYRK1A (0.49) DYRK1ADYRK1BDYRK2CLK1CSNK2A2
SCHEMBL16693163 0.77 KDM4E (0.47) DYRK1ADYRK1BDYRK2CLK1CSNK2A2
SCHEMBL14127183 0.74 NPC1 (0.54) DYRK1ANPC1RAB9AKDM4EHKDC1
SCHEMBL593507 0.74 NPC1 (0.54) DYRK1ANPC1RAB9AKDM4EHKDC1
Cyanide SCHEMBL22130098 0.73 DYRK1A (0.43) DYRK1ADYRK1BDYRK2CLK1CSNK2A2
SCHEMBL31214345 0.73 DYRK1A (0.72) DYRK1APIK3CANPC1RAB9AKDM4E

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 CN disclosed