SCHEMBL7260400

SCHEMBL7260400

CC(C)C(=O)Nc1n[nH]c2ncc(N)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.44
GSK3B P49841 6/20 0.40
GSK3A P49840 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
AAK1 Q2M2I8 1/20 0.37
DYRK1A Q13627 2/20 0.36
CDK2 P24941 2/20 0.35
CDK5 Q00535 2/20 0.35
CCNE1 P24864 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAP4K4 O95819 1/20 0.34
CDK1 P06493 1/20 0.34
LIMK1 P53667 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
STK17A Q9UEE5 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAP4K1 Q92918 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL1496202 0.84 DYRK1A (0.47) MAPK1GSK3BGSK3ADYRK1ACDK2
SCHEMBL7261192 0.79 ALDH1A1 (0.42) MAPK1GSK3BGSK3ASMN1; SMN2CDK2
SCHEMBL1593623 0.78 GSK3B (0.59) MAPK1GSK3BGSK3ASMN1; SMN2LMNA
SCHEMBL1496216 0.76 PDPK1 (0.43) MAPK1GSK3BGSK3ACDK2MAP4K4
SCHEMBL7256652 0.75 BRAF (0.56) MAPK1GSK3BGSK3ADYRK1ACDK2
SCHEMBL19728696 0.74 MAPK1 (0.46) MAPK1GSK3BGSK3ASMN1; SMN2AAK1
SCHEMBL29253947 0.74 GSK3A (0.48) MAPK1GSK3BGSK3AAAK1DYRK1A
SCHEMBL1496185 0.71 GSK3B (0.36) GSK3B
SCHEMBL23107942 0.70 HAO1 (0.40) ALDH1A1LMNA
SCHEMBL7255197 0.69 MAPK1 (0.62) MAPK1GSK3BGSK3AAAK1

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-2003068773-A1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed