SCHEMBL4756995

SCHEMBL4756995

COC(=O)c1cc(Cl)cc(-c2cnc(C)n2C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.47
GSK3B P49841 9/20 0.47
MAP4K4 O95819 1/20 0.40
KAT5 Q92993 3/20 0.39
WNT1 P04628 4/20 0.38
TTK P33981 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
CNR2 P34972 1/20 0.38
KAT7 O95251 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL4756960 0.83 DYRK1A (0.48) DYRK1AGSK3BMAP4K4KAT5WNT1
SCHEMBL6760162 0.76 USP2 (0.45) DYRK1AGSK3BMAP4K4KAT5WNT1
SCHEMBL4755015 0.74 KAT6A (0.39) KAT5MEN1ALDH1A1MAPTHPGD
SCHEMBL8440378 0.71 ALDH1A1 (0.60) MEN1ALDH1A1MAPTHPGDXBP1
SCHEMBL67540 0.71 ALDH1A1 (0.62) MEN1ALDH1A1MAPTHPGDXBP1
SCHEMBL588343 0.71 ALDH1A1 (0.62) MEN1ALDH1A1MAPTHPGDXBP1
SCHEMBL6755660 0.70 DYRK1A (0.38) DYRK1AGSK3BKAT5MEN1ALDH1A1
SCHEMBL5188952 0.70 KDM4E (0.64) MEN1ALDH1A1MAPTHPGDXBP1
SCHEMBL17149168 0.68 USP2 (0.46) DYRK1AGSK3BKAT5WNT1TTK
SCHEMBL30570165 0.68 CNR2 (0.56) MEN1ALDH1A1MAPTHPGDXBP1

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
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed