SCHEMBL7126823

SCHEMBL7126823

C(=N/c1n[nH]c2ncc(-c3ccccc3)cc12)\c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.48
GSK3A P49840 6/20 0.48
AXL P30530 7/20 0.43
CDK8 P49336 5/20 0.43
TNIK Q9UKE5 1/20 0.43
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
PIM1 P11309 1/20 0.40
FER P16591 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL7126825 1.00 GSK3B (0.48) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL29930893 0.75 GSK3B (0.58) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL5387619 0.73 GSK3B (0.59) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL7168419 0.72 GSK3B (0.56) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL7255702 0.69 ALPL (0.38) GSK3ACLK4FAAH
SCHEMBL7255711 0.69 ALPL (0.38) GSK3ACLK4FAAH
SCHEMBL29930698 0.68 DYRK1A (0.60) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL18137820 0.67 AXL (0.61) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL7132408 0.67 GSK3B (0.60) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL7135501 0.67 GSK3B (0.64) GSK3BGSK3AAXLCDK8TNIK

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