SCHEMBL11236115

SCHEMBL11236115

Cc1cc(-c2cnc3c(c2)c(N)nn3CCO)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.46
GSK3B P49841 1/20 0.45
MAP4K4 O95819 1/20 0.42
SPR P35270 2/20 0.39
CLK1 P49759 4/20 0.38
DYRK1A Q13627 4/20 0.38
MAPK1 P28482 1/20 0.37
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
MAP4K1 Q92918 1/20 0.36
TLR9 Q9NR96 1/20 0.36
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
CYP11B2 P19099 1/20 0.35
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL11245877 0.86 GSK3B (0.45) PIK3CBGSK3BSPRMAPK1TLR8
SCHEMBL11225759 0.86 GSK3B (0.43) PIK3CBGSK3BMAP4K4CLK1DYRK1A
SCHEMBL11244896 0.85 GSK3B (0.49) GSK3BMAP4K4SPRMAPK1IKBKE
SCHEMBL11233480 0.80 GSK3B (0.52) GSK3BDYRK1AMAPK1CYP11B2EGFR
SCHEMBL11237181 0.79 GSK3B (0.46) GSK3BSPRMAPK1KDR
SCHEMBL11386279 0.75 PIK3CB (0.43) PIK3CBMAP4K4CLK1DYRK1AMAPK1
SCHEMBL11229632 0.75 GSK3B (0.52) GSK3BMAP4K4MAPK1
SCHEMBL11236377 0.74 GSK3B (0.48) PIK3CBGSK3BMAP4K4MAPK1IKBKE
SCHEMBL11236404 0.74 GSK3B (0.42) GSK3BSPRMAPK1TLR7CYP11B2
SCHEMBL11234436 0.73 GSK3B (0.50) GSK3BMAP4K4MAPK1PIK3CAMTOR

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
US-4361568-A 5-(Pyridinyl)-1H-pyrazolo[3,4-b]pyridin-3-amines and their cardiotonic use STERLING DRUG INC. (US) 1982-11-30 US disclosed
US-4264603-A 5-(Pyridinyl)-1H-pyrazolo[3,4-b]pyridine-3-amines, their use as cardiotonics and their preparation STERLING DRUG INC. (US) 1981-04-28 US disclosed