SCHEMBL11245877

SCHEMBL11245877

Cc1cc(-c2cnc3c(c2)c(N)nn3CCO)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.45
SPR P35270 2/20 0.38
MAPK1 P28482 1/20 0.37
KDR P35968 2/20 0.34
PIK3CB P42338 2/20 0.34
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
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
MAP4K1 Q92918 1/20 0.34
TLR9 Q9NR96 3/20 0.33
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 3/20 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
SCHEMBL11236115 0.86 PIK3CB (0.46) GSK3BSPRMAPK1KDRPIK3CB
SCHEMBL11232462 0.81 GSK3B (0.67) GSK3BSPRMAPK1KDRPIK3CB
SCHEMBL11244896 0.81 GSK3B (0.49) GSK3BSPRMAPK1KDREGFR
SCHEMBL11233480 0.78 GSK3B (0.52) GSK3BMAPK1EGFRPIK3CAFYN
SCHEMBL11237181 0.77 GSK3B (0.46) GSK3BSPRMAPK1KDRMET
SCHEMBL11236404 0.77 GSK3B (0.42) GSK3BSPRMAPK1TLR7
SCHEMBL11381713 0.73 HSD17B10 (0.36) GSK3BTLR9TLR8TLR7HSD17B10
SCHEMBL11225759 0.72 GSK3B (0.43) GSK3BMAPK1PIK3CBTLR9TLR8
SCHEMBL11229632 0.70 GSK3B (0.52) GSK3BMAPK1METFYNHSD17B10
SCHEMBL11236377 0.69 GSK3B (0.48) GSK3BMAPK1PIK3CBPIK3CDPIK3CA

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