SCHEMBL7126812

SCHEMBL7126812

CC(=O)Nc1n[nH]c2ncc(-c3ccccc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 11/20 0.64
GSK3B P49841 10/20 0.64
CHEK1 O14757 1/20 0.49
FGFR1 P11362 1/20 0.49
NEK2 P51955 1/20 0.49
MAPK15 Q8TD08 1/20 0.49
SGK1 O00141 1/20 0.48
AXL P30530 1/20 0.48
MAPK1 P28482 2/20 0.47
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46

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
SCHEMBL7128018 0.94 GSK3A (0.58) GSK3AGSK3BCHEK1FGFR1NEK2
SCHEMBL5390676 0.85 GSK3B (0.69) GSK3AGSK3BDYRK1A
SCHEMBL7256635 0.84 GSK3A (0.67) GSK3AGSK3BFGFR1MAPK1
SCHEMBL3434404 0.82 POLB (0.48) GSK3AGSK3BCHEK1FGFR1NEK2
SCHEMBL16704792 0.81 GSK3A (0.70) GSK3AGSK3BDYRK1A
SCHEMBL7155632 0.80 GSK3B (0.62) GSK3AGSK3BDYRK1A
SCHEMBL31221939 0.79 CDK2 (0.58) GSK3AGSK3BFGFR1DYRK1A
SCHEMBL7135501 0.78 GSK3B (0.64) GSK3AGSK3BCHEK1FGFR1SGK1
SCHEMBL7128023 0.77 GSK3B (0.53) GSK3AGSK3BCHEK1SGK1AXL
SCHEMBL1496202 0.77 DYRK1A (0.47) GSK3AGSK3BMAPK1DYRK1ADYRK1B

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-2003045949-A1 PYRAZOLOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 WO disclosed