SCHEMBL11228877

SCHEMBL11228877

Cn1nc(NC=O)c2cc(-c3ccncc3)cnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
AXL P30530 1/20 0.40
CHEK1 O14757 1/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
NR1D1 P20393 1/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
NTRK1 P04629 2/20 0.36
KIT P10721 1/20 0.36
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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 0.83 GSK3A (0.37) GSK3BAXLNR1D1PIK3CAKDM4C
SCHEMBL11231889 0.81 KDM4E (0.49) GSK3BAXLPIK3CAPIK3CGKDM5A
SCHEMBL11229759 0.81 GSK3B (0.46) GSK3BAXLCHEK1PDE3BPDE3A
SCHEMBL11229725 0.79 NR1D1 (0.37) GSK3BAXLCHEK1PDE3BPDE3A
SCHEMBL11236571 0.79 NR1D1 (0.33) GSK3BAXLCHEK1PDE3BPDE3A
SCHEMBL11240332 0.77 NR1D1 (0.37) GSK3BAXLNR1D1PIK3CAKDM4C
SCHEMBL11229327 0.75 GSK3B (0.76) GSK3BCHEK1PDE3BPDE3ANTRK1
SCHEMBL11232476 0.73 GSK3B (0.49) GSK3BAXLCHEK1PDE3BPDE3A
SCHEMBL11234318 0.70 GSK3B (0.46) GSK3BAXLCHEK1PDE3BPDE3A
SCHEMBL11238844 0.69 GSK3B (0.45) GSK3BAXLCHEK1PDE3BPDE3A

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