SCHEMBL11244896

SCHEMBL11244896

Nc1nn(CCO)c2ncc(-c3ccncc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.49
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
CHEK2 O96017 1/20 0.40
MAPK1 P28482 2/20 0.40
NTRK1 P04629 3/20 0.40
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
FYN P06241 1/20 0.39
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
MAP4K4 O95819 1/20 0.37
SPR P35270 1/20 0.36

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
SCHEMBL11229632 0.87 GSK3B (0.52) GSK3BCHEK2MAPK1NTRK1PDGFRB
SCHEMBL11233480 0.86 GSK3B (0.52) GSK3BCHEK2MAPK1NTRK1PDGFRB
SCHEMBL11236115 0.85 PIK3CB (0.46) GSK3BIKBKETBK1MAPK1KDR
SCHEMBL11236377 0.85 GSK3B (0.48) GSK3BIKBKETBK1CHEK2MAPK1
SCHEMBL11234436 0.85 GSK3B (0.50) GSK3BCHEK2MAPK1NTRK1PDGFRB
SCHEMBL11235570 0.84 GSK3B (0.51) GSK3BCHEK2MAPK1NTRK1PDGFRB
SCHEMBL11232434 0.84 GSK3B (0.49) GSK3BROCK2AURKATTKAURKB
SCHEMBL11226000 0.84 GSK3B (0.49) GSK3BIKBKETBK1MAPK1NTRK1
SCHEMBL11361765 0.83 GSK3B (0.42) GSK3BCHEK2MAPK1NTRK1PDGFRB
SCHEMBL11238191 0.83 GSK3B (0.48) GSK3BROCK2AURKATTKAURKB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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