SCHEMBL11245015

SCHEMBL11245015

CCc1nc2c(cc1-c1ccncc1)c(N)nn2CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MAPK1 P28482 3/20 0.37
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABL1 P00519 3/20 0.34
AAK1 Q2M2I8 1/20 0.34
PIK3CD O00329 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 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
SCHEMBL11231193 0.89 MAPK1 (0.39) MAPK1AKT1AKT2KDM4EHSD17B10
SCHEMBL11238864 0.87 AAK1 (0.36) PDE3BPDE3AMAPK1AKT1AKT2
SCHEMBL11240784 0.85 PDE3B (0.46) PDE3BPDE3AMAPK1AKT1AKT2
SCHEMBL11238221 0.85 PDE3B (0.41) PDE3BPDE3AMAPK1AKT1AKT2
SCHEMBL11227748 0.76 MAPT (0.39) PDE3BPDE3AMAPK1AKT1AKT2
SCHEMBL11238805 0.75 MTOR (0.40) PIK3CDPIK3CAPIK3CBMTORPRKDC
SCHEMBL11244896 0.75 GSK3B (0.49) MAPK1AKT1EGFRKDRPIK3CA
SCHEMBL11246839 0.75 GSK3B (0.38) PDE3BPDE3AMAPK1AKT1AKT2
SCHEMBL11238606 0.74 GSK3B (0.37) MAPK1KDM4EHSD17B10ROCK2CYP17A1
SCHEMBL11173371 0.71 PDE3B (0.42) PDE3BPDE3AMAPK1KDM4EHSD17B10

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
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