SCHEMBL11222288

SCHEMBL11222288

CC(=O)Nc1nn(CCOC(C)=O)c2ncc(-c3ccncc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CASP1 P29466 2/20 0.39
AXL P30530 1/20 0.38
MAPK10 P53779 1/20 0.38
NTRK1 P04629 2/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PABPC1 P11940 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
NR1D1 P20393 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CASP7 P55210 1/20 0.35
PTPN11 Q06124 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL11233210 0.87 MEN1 (0.43) MEN1KMT2AATMALDH1A1CASP1
SCHEMBL11231701 0.85 PABPC1 (0.51) MEN1KMT2AATMALDH1A1CASP1
SCHEMBL11227000 0.83 ATM (0.42) ATMALDH1A1CASP1AXLGSK3A
SCHEMBL11240415 0.82 KMT2A (0.46) MEN1KMT2AATMALDH1A1CASP1
SCHEMBL11231889 0.81 KDM4E (0.49) MEN1KMT2AALDH1A1CASP1AXL
SCHEMBL11233335 0.81 ATM (0.39) MEN1KMT2AATMALDH1A1CASP1
SCHEMBL11226073 0.81 ATM (0.45) ATMALDH1A1CASP1AXLGSK3A
SCHEMBL11238184 0.78 MAPK10 (0.43) MEN1KMT2ACASP1AXLMAPK10
SCHEMBL11123824 0.76 ALDH1A1 (0.37) ALDH1A1AXLKDM4EPIK3CAPIK3CG
SCHEMBL11236486 0.74 ATM (0.44) MEN1KMT2AATMALDH1A1CASP1

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 claimed
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