SCHEMBL11229632

SCHEMBL11229632

CCCn1nc(N)c2cc(-c3ccncc3)cnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.52
AURKA O14965 2/20 0.40
TTK P33981 2/20 0.40
AURKB Q96GD4 2/20 0.40
INCENP Q9NQS7 2/20 0.40
PDPK1 O15530 1/20 0.38
GSK3A P49840 1/20 0.37
NTRK1 P04629 1/20 0.37
MAP4K4 O95819 2/20 0.37
METAP2 P50579 1/20 0.37
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP1 P29466 2/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 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
SCHEMBL11234436 0.92 GSK3B (0.50) GSK3BAURKATTKAURKBINCENP
SCHEMBL11232434 0.91 GSK3B (0.49) GSK3BAURKATTKAURKBINCENP
SCHEMBL11238191 0.90 GSK3B (0.48) GSK3BAURKATTKAURKBINCENP
SCHEMBL11235570 0.89 GSK3B (0.51) GSK3BAURKATTKAURKBINCENP
SCHEMBL11244896 0.87 GSK3B (0.49) GSK3BAURKATTKAURKBINCENP
SCHEMBL11229155 0.87 GSK3B (0.47) GSK3BAURKATTKAURKBINCENP
SCHEMBL11226000 0.86 GSK3B (0.49) GSK3BAURKATTKAURKBINCENP
SCHEMBL11236377 0.85 GSK3B (0.48) GSK3BAURKATTKAURKBINCENP
SCHEMBL11234009 0.84 GSK3B (0.47) GSK3BAURKATTKAURKBINCENP
SCHEMBL11232201 0.83 GSK3B (0.48) GSK3BAURKATTKAURKBINCENP

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