SCHEMBL11235965

SCHEMBL11235965

CC(C)Cc1[nH]c(=O)c([N+](=O)[O-])cc1-c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
GSK3B P49841 1/20 0.42
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
CDC7 O00311 1/20 0.37
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
FBP1 P09467 2/20 0.36
RAB9A P51151 1/20 0.36
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36
PDE4B Q07343 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE7A Q13946 1/20 0.35
PDE7B Q9NP56 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PDE5A O76074 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 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
SCHEMBL11235491 0.86 PDE3B (0.59) PDE3BPDE3AAURKBINCENPCDC7
SCHEMBL11227650 0.84 PDE3B (0.60) PDE3BPDE3AGSK3BAURKBINCENP
SCHEMBL11228371 0.81 PDE3B (0.52) PDE3BPDE3AGSK3BAURKBINCENP
SCHEMBL11246267 0.81 PDE3B (0.40) PDE3BPDE3AGSK3BAURKBINCENP
SCHEMBL11235237 0.81 PDE3B (0.51) PDE3BPDE3AGSK3BAURKBINCENP
SCHEMBL11229235 0.79 PDE3B (0.47) PDE3BPDE3AGSK3BAURKBINCENP
SCHEMBL11230835 0.79 PDE3B (0.61) PDE3BPDE3AGSK3BAURKBINCENP
SCHEMBL11237972 0.79 PDE3B (0.60) PDE3BPDE3AGSK3BAURKBINCENP
SCHEMBL11246018 0.76 PDE3B (0.44) PDE3BPDE3AGSK3BAURKBINCENP
SCHEMBL11230175 0.76 PDE3A (0.74) PDE3BPDE3AGSK3BAURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4351941-A Pyridinyl-pyridines STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4331672-A 5-(Pyridinyl)pyridine-2-hydrazines, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed
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