SCHEMBL11236404

SCHEMBL11236404

Cc1cncc(-c2cnc3c(c2)c(N)nn3CCCO)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP11B2 P19099 1/20 0.34
MERTK Q12866 1/20 0.34
KDM1A O60341 1/20 0.34
TLR7 Q9NYK1 2/20 0.32
SPR P35270 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
RPS6KA3 P51812 1/20 0.32
MAPK1 P28482 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.30
TKT P29401 1/20 0.30

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
SCHEMBL11227369 0.84 GSK3B (0.44) GSK3BSIGMAR1CYP11B2TLR7PRMT5
SCHEMBL11231103 0.82 MERTK (0.38) SIGMAR1MERTKKDM1ASPR
SCHEMBL11229121 0.80 MEN1 (0.41) SIGMAR1CYP11B2MERTKSPRMAPK1
SCHEMBL11245877 0.77 GSK3B (0.45) GSK3BTLR7SPRMAPK1
SCHEMBL11395666 0.75 PRMT5 (0.41) SIGMAR1CYP11B2KDM1APRMT5WDR77
SCHEMBL11244896 0.75 GSK3B (0.49) GSK3BSPRMAPK1
SCHEMBL11233480 0.75 GSK3B (0.52) GSK3BCYP11B2MAPK1CYP2A6
SCHEMBL11236115 0.74 PIK3CB (0.46) GSK3BCYP11B2TLR7SPRMAPK1
SCHEMBL11234436 0.73 GSK3B (0.50) GSK3BMAPK1
SCHEMBL11232434 0.72 GSK3B (0.49) GSK3B

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