SCHEMBL11232136

SCHEMBL11232136

CCCNc1nn(CCOC)c2ncc(-c3ccncc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 2/20 0.38
LATS2 Q9NRM7 1/20 0.38
FYN P06241 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
LIMK1 P53667 1/20 0.36
GSK3B P49841 2/20 0.36
NFATC1 O95644 1/20 0.36
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
HIF1A Q16665 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CASP1 P29466 2/20 0.36
KDM4C Q9H3R0 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
SCHEMBL11226073 0.82 ATM (0.45) GSK3BALDH1A1HSD17B10CASP1KDM4C
SCHEMBL11226000 0.80 GSK3B (0.49) GSK3BNFATC1DYRK1AALDH1A1MEN1
SCHEMBL11238837 0.79 DYRK1A (0.36) ROCK2ROCK1GSK3BNFATC1DYRK1A
SCHEMBL11225319 0.77 LATS1 (0.40) LATS1LATS2GSK3BALDH1A1MEN1
SCHEMBL11280195 0.77 GSK3B (0.37) GSK3BALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL11234009 0.73 GSK3B (0.47) ROCK2GSK3BNFATC1DYRK1AALDH1A1
SCHEMBL11229759 0.73 GSK3B (0.46) LATS1LATS2GSK3BALDH1A1MEN1
SCHEMBL11231822 0.73 GSK3A (0.37) GSK3BALDH1A1MEN1CYP3A4KMT2A
SCHEMBL11222288 0.73 MEN1 (0.40) GSK3BALDH1A1MEN1KMT2AHSD17B10
SCHEMBL11227000 0.73 ATM (0.42) GSK3BALDH1A1CYP1A2CYP3A4HSD17B10

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