SCHEMBL11236571

SCHEMBL11236571

O=CNc1nn(CCOC=O)c2ncc(-c3ccncc3)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.33
AXL P30530 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
CHEK1 O14757 1/20 0.31
PTPN11 Q06124 1/20 0.31
PDGFRB P09619 3/20 0.31
PDGFRA P16234 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CASP1 P29466 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL11231822 0.84 GSK3A (0.37) NR1D1AXLPIK3CAALDH1A1CASP1
SCHEMBL11240332 0.81 NR1D1 (0.37) NR1D1AXLPIK3CAPTPN11PDGFRB
SCHEMBL11228877 0.79 GSK3B (0.45) NR1D1AXLPIK3CDPIK3CAPIK3CB
SCHEMBL11229725 0.79 NR1D1 (0.37) NR1D1AXLPIK3CDPIK3CAPIK3CB
SCHEMBL11222288 0.73 MEN1 (0.40) NR1D1AXLPIK3CAPIK3CGPTPN11
SCHEMBL11232136 0.72 LATS1 (0.38) NR1D1AXLPDGFRBPDGFRAALDH1A1
SCHEMBL11226073 0.72 ATM (0.45) AXLALDH1A1CASP1KDM4EMAPT
SCHEMBL11227000 0.71 ATM (0.42) AXLALDH1A1CASP1KDM4ECYP1A2
SCHEMBL11280195 0.70 GSK3B (0.37) NR1D1PDGFRBPDGFRAALDH1A1CASP1
SCHEMBL11233210 0.70 MEN1 (0.43) AXLPIK3CAPIK3CGPTPN11ALDH1A1

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 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