SCHEMBL11237378

SCHEMBL11237378

NNc1ncc(-c2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7B Q9NP56 1/20 0.40
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL11232406 0.85 LMNA (0.44) PDE3BPDE3ACYP11B1CYP11B2PIK3CD
SCHEMBL13824897 0.84 TDP1 (0.42) PDE7AMAPTMEN1KMT2AALDH1A1
SCHEMBL11227394 0.82 GAA (0.49) PDE3BPDE3ACYP11B1CYP11B2MAPT
SCHEMBL11224806 0.80 INPPL1 (0.49) PDE7APDE4BPDE4DPDE7BCYP11B1
SCHEMBL11238534 0.80 ROCK2 (0.44) CYP11B1CYP11B2MAPTMEN1KMT2A
SCHEMBL11237675 0.78 PRKCD (0.46) CYP11B1CYP11B2MAPTALDH1A1POLB
SCHEMBL11238107 0.77 MAPT (0.43) PDE7APDE4BPDE4DPDE7BPDE3B
SCHEMBL11232501 0.77 PIK3CD (0.48) PDE7APDE4BPDE4DPDE7BPDE3B
SCHEMBL11236993 0.77 ALDH1A1 (0.45) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL11237124 0.77 POLB (0.49) MAPTMEN1KMT2AALDH1A1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309537-A Production of imidazo[4,5-b]pyridin-2-ones or thiones STERLING DRUG INC. (US) 1982-01-05 US disclosed
US-4297360-A 5-(Pyridinyl)pyridine-2,3-diamines, preparation thereof and their cardiotonic use STERLING DRUG INC. (US) 1981-10-27 US disclosed
US-4294837-A 1,3-Dihydro-6-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones and -imidazo[4,5-b]pyridine-2-thiones and their cardiotonic use STERLING DRUG INC. (US) 1981-10-13 US disclosed
US-4276293-A Compositions and their preparation STERLING DRUG INC. (US) 1981-06-30 US disclosed