SCHEMBL11226073

SCHEMBL11226073

CCC(=O)Nc1nn(CCOC)c2ncc(-c3ccncc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.45
CASP1 P29466 2/20 0.42
ALDH1A1 P00352 2/20 0.42
APOBEC3A P31941 3/20 0.41
APOBEC3G Q9HC16 3/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
NPC1 O15118 1/20 0.40
AXL P30530 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL11227000 0.90 ATM (0.42) ATMCASP1ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL11232136 0.82 LATS1 (0.38) CASP1ALDH1A1GSK3AGSK3BIKBKE
SCHEMBL11222288 0.81 MEN1 (0.40) ATMCASP1ALDH1A1GSK3AGSK3B
SCHEMBL11233210 0.78 MEN1 (0.43) ATMCASP1ALDH1A1GSK3AGSK3B
SCHEMBL11231701 0.78 PABPC1 (0.51) ATMCASP1ALDH1A1GSK3AGSK3B
SCHEMBL11226000 0.77 GSK3B (0.49) CASP1ALDH1A1GSK3BIKBKETBK1
SCHEMBL11238837 0.74 DYRK1A (0.36) CASP1ALDH1A1GSK3BIKBKETBK1
SCHEMBL11236571 0.72 NR1D1 (0.33) CASP1ALDH1A1GSK3AGSK3BAXL
SCHEMBL11280195 0.72 GSK3B (0.37) ATMCASP1ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL11231889 0.72 KDM4E (0.49) CASP1ALDH1A1GSK3AGSK3BAXL

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