SCHEMBL11233210

SCHEMBL11233210

CC(=O)Nc1nn(CCO)c2ncc(-c3ccncc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
NTRK1 P04629 2/20 0.42
CASP1 P29466 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK10 P53779 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PABPC1 P11940 1/20 0.40
SPR P35270 2/20 0.39
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
AXL P30530 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL11231701 0.89 PABPC1 (0.51) MEN1KMT2AATMNTRK1CASP1
SCHEMBL11222288 0.87 MEN1 (0.40) MEN1KMT2AATMNTRK1CASP1
SCHEMBL11231889 0.85 KDM4E (0.49) MEN1KMT2ANTRK1CASP1ALDH1A1
SCHEMBL11238184 0.81 MAPK10 (0.43) MEN1KMT2ANTRK1CASP1MAPK10
SCHEMBL11229121 0.80 MEN1 (0.41) MEN1KMT2AATMCASP1ALDH1A1
SCHEMBL11226073 0.78 ATM (0.45) ATMCASP1ALDH1A1GSK3AGSK3B
SCHEMBL11244896 0.77 GSK3B (0.49) NTRK1GSK3BSPRIKBKETBK1
SCHEMBL11234298 0.77 ROCK2 (0.42) MEN1KMT2ANTRK1CASP1ALDH1A1
SCHEMBL11227000 0.77 ATM (0.42) ATMCASP1ALDH1A1GSK3AGSK3B
SCHEMBL11280195 0.74 GSK3B (0.37) MEN1KMT2AATMNTRK1CASP1

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