SCHEMBL10727657

SCHEMBL10727657

CC(C)(C)c1cn(-c2nccc3[nH]c(=O)ccc23)cn1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 19/20 0.72
PDE3A Q14432 19/20 0.72
MAPK1 P28482 1/20 0.31

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
SCHEMBL10727815 0.87 PDE3B (0.68) PDE3BPDE3A
SCHEMBL10729985 0.84 PDE3B (1.00) PDE3BPDE3AMAPK1
SCHEMBL10726017 0.81 PDE3B (0.75) PDE3BPDE3A
SCHEMBL10725801 0.80 PDE3B (0.73) PDE3BPDE3A
SCHEMBL10724775 0.80 PDE3B (0.72) PDE3BPDE3A
SCHEMBL10724886 0.77 PDE3B (0.68) PDE3BPDE3A
SCHEMBL10728253 0.76 PDE3B (0.67) PDE3BPDE3A
SCHEMBL10725998 0.76 PDE3B (0.67) PDE3BPDE3A
SCHEMBL10728141 0.74 PDE3B (0.64) PDE3BPDE3A
SCHEMBL14090714 0.71 PDE3B (0.62) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4716170-A 5-[1H-(5-membered-N-aromatic heteryl)-1-yl]-1,6-naphthyridin-2(1H)-ones and their cardiotonic use STERLING DRUG INC. (US) 1987-12-29 US disclosed
US-4697021-A 1,6-dihydro-6-oxo-3-pyridinecarbonitriles, intermediates for cardiotonic agents STERLING DRUG INC. (US) 1987-09-29 US disclosed
US-4657915-A INOTROPIC AGENTS STERLING DRUG INC. (US) 1987-04-14 US disclosed
US-4634772-A 2-[2-(di-lower-alkylamino)-1-propenyl]-6-methoxy-3-pyridinecarbonitriles, intermediates for cardiotonic agents STERLING DRUG INC. (US) 1987-01-06 US disclosed
EP-0189853-A2 1,6-Naphthyridin-2(1H)-ones having cardiotonic activity and preparation STERLING DRUG INC. (US) 1986-08-06 EP disclosed