SCHEMBL11233480

SCHEMBL11233480

Nc1nn(CCO)c2ncc(-c3cccnc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.52
CHEK2 O96017 1/20 0.44
MAPK1 P28482 1/20 0.42
DYRK1A Q13627 2/20 0.40
PIK3CA P42336 2/20 0.40
NTRK1 P04629 1/20 0.40
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
BACE1 P56817 1/20 0.39
FYN P06241 1/20 0.39
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
MEN1 O00255 1/20 0.38
PSIP1 O75475 1/20 0.38
AXL P30530 1/20 0.38
CYP2A6 P11509 2/20 0.38
CCNT1 O60563 1/20 0.38

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
SCHEMBL11244896 0.86 GSK3B (0.49) GSK3BCHEK2MAPK1PIK3CANTRK1
SCHEMBL11360775 0.84 GSK3B (0.45) GSK3BCHEK2DYRK1APIK3CANTRK1
SCHEMBL11222259 0.82 GSK3B (0.76) GSK3BCHEK2DYRK1APIK3CANTRK1
SCHEMBL11235819 0.81 CYP2C9 (0.38) GSK3BMAPK1DYRK1AEGFRPDGFRB
SCHEMBL11237181 0.80 GSK3B (0.46) GSK3BMAPK1MKNK1MKNK2
SCHEMBL11245877 0.78 GSK3B (0.45) GSK3BMAPK1PIK3CAFYNEGFR
SCHEMBL11126827 0.76 HDAC8 (0.48) GSK3BCHEK2MAPK1DYRK1AAKT2
SCHEMBL11236404 0.75 GSK3B (0.42) GSK3BMAPK1CYP2A6CYP11B2
SCHEMBL11380999 0.75 PRMT5 (0.42) GSK3BCHEK2DYRK1APIK3CANTRK1
SCHEMBL11229632 0.73 GSK3B (0.52) GSK3BCHEK2MAPK1NTRK1FYN

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 3 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
EP-0063754-A1 Pyrazolopyridine derivatives, and preparation, useful as cardiotonics STERLING DRUG INC. (US) 1982-11-03 EP 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