SCHEMBL4073474

SCHEMBL4073474

NC(=O)c1nc2c[nH]nc2s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
GFER P55789 1/20 0.32
CSNK2A2 P19784 1/20 0.32
KDR P35968 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
DYRK1A Q13627 4/20 0.32
SCN9A Q15858 1/20 0.32
HTT P42858 1/20 0.32
IKBKB O14920 1/20 0.31
LIMK1 P53667 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5797987 0.70 PDK1 (0.54) ALDH1A1NPC1RAB9AHTTIKBKB
SCHEMBL2016376 0.68 KDR (0.49) ALDH1A1CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL8040443 0.67 DYRK1A (0.50) ALDH1A1NPC1RAB9ADYRK1AHTT
SCHEMBL369480 0.67 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AGFERKDM4E
Hydrochloric Acid SCHEMBL3492104 0.66 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AGFERKDM4E
Hydrochloric Acid SCHEMBL5009760 0.66 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AGFERKDM4E
SCHEMBL4073478 0.64 PDPK1 (0.39) KDRDYRK1B
SCHEMBL29843500 0.64 MAPK1 (0.37) DYRK1AIKBKBLIMK1DYRK1B
SCHEMBL4342655 0.64 APP (0.42) ALDH1A1RAB9ADYRK1AKDM4EMEN1
SCHEMBL30770332 0.63 ALDH1A1 (0.34) ALDH1A1NPC1RAB9AGFERKDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051985-A2 PYRAZOLO[4,3-D]THIAZOLE DERIVATIVES, AND PREPARATION AND THERAPUETIC APPLICATION THEREOF Sanofi-Aventis (FR) 2009-04-29 EP claimed
WO-2008015340-A2 PYRAZOLO[4,3-D]THIAZOLE DERIVATIVES, AND PREPARATION AND THERAPUETIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2008-02-07 WO claimed
EP-2051985-A2 PYRAZOLO[4,3-D]THIAZOLE DERIVATIVES, AND PREPARATION AND THERAPUETIC APPLICATION THEREOF Sanofi-Aventis (FR) 2009-04-29 EP disclosed
WO-2008015340-A2 PYRAZOLO[4,3-D]THIAZOLE DERIVATIVES, AND PREPARATION AND THERAPUETIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2008-02-07 WO disclosed