SCHEMBL11240784

SCHEMBL11240784

Cc1nc2c(cc1-c1ccncc1)c(N)nn2CCO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.46
PDE3A Q14432 8/20 0.46
MAPK1 P28482 1/20 0.39
MAP4K1 Q92918 2/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
BRD4 O60885 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
FYN P06241 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
JAK2 O60674 1/20 0.34
CYP17A1 P05093 1/20 0.34

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
SCHEMBL11245015 0.85 PDE3B (0.39) PDE3BPDE3AMAPK1MAP4K1AKT1
SCHEMBL11367530 0.83 PDE3B (0.40) PDE3BPDE3AMAPK1FYNJAK2
SCHEMBL11237388 0.83 PDE3B (0.44) PDE3BPDE3AMAPK1KDM4EALDH1A1
SCHEMBL11232990 0.83 PDE3B (0.51) PDE3BPDE3AMAPK1ALDH1A1HPGD
SCHEMBL11238864 0.82 AAK1 (0.36) PDE3BPDE3AMAPK1MAP4K1AKT1
SCHEMBL11244896 0.77 GSK3B (0.49) MAPK1AKT1ROCK2ROCK1FYN
SCHEMBL11225055 0.76 DYRK1A (0.43) MAPK1KDM4EALDH1A1LMNAGAA
SCHEMBL11231193 0.75 MAPK1 (0.39) MAPK1AKT1AKT2KDM4EALDH1A1
SCHEMBL11381149 0.74 PDE3B (0.51) PDE3BPDE3AKDM4ELMNAHPGD
SCHEMBL11237181 0.71 GSK3B (0.46) MAPK1KDRFLT3

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