SCHEMBL7328231

SCHEMBL7328231

O=C1CCOc2ccncc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.40
CYP11B2 P19099 6/20 0.40
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
TBXAS1 P24557 1/20 0.38
CYP19A1 P11511 2/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DDB1 Q16531 3/20 0.35
CRBN Q96SW2 3/20 0.35
MMP12 P39900 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
CHEK1 O14757 1/20 0.34
NR3C2 P08235 1/20 0.34
NPC1 O15118 1/20 0.33
MAPK13 O15264 1/20 0.33

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
SCHEMBL1191106 0.83 CYP11B1 (0.55) CYP11B1CYP11B2PDE3BPDE3AMAPT
Hydrochloric Acid SCHEMBL21824331 0.81 CYP11B1 (0.54) CYP11B1CYP11B2PDE3BPDE3AMAPT
SCHEMBL1756086 0.75 NPC1 (0.50) MAPTSMN1; SMN2MMP12CHEK1NR3C2
Hydrochloric Acid SCHEMBL30986688 0.74 NPC1 (0.48) MAPTSMN1; SMN2MMP12CHEK1NR3C2
SCHEMBL30494352 0.73 CYP11B1 (0.49) CYP11B1CYP11B2PDE3BPDE3ACYP1A2
SCHEMBL26463637 0.73 CYP11B1 (0.49) CYP11B1CYP11B2PDE3BPDE3ACYP1A2
SCHEMBL1881486 0.73 CYP11B1 (0.77) CYP11B1CYP11B2PDE3BPDE3ACYP1A2
SCHEMBL1191190 0.73 ALDH1A1 (0.50) CYP11B1CYP11B2PDE3BPDE3AMAPT
Hydrochloric Acid SCHEMBL21824320 0.72 ALDH1A1 (0.49) CYP11B1CYP11B2PDE3BPDE3AMAPT
Bromide SCHEMBL29575413 0.72 ALDH1A1 (0.49) CYP11B1CYP11B2PDE3BPDE3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed
EP-0357675-A4 PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES 1992-01-15 EP disclosed
WO-1991006300-A1 NAPHTHERIDINONE- AND PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING SAME, AND THEIR USES RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-05-16 WO disclosed
EP-0357675-A1 PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-03-14 EP disclosed
US-4866074-A Naphtheridinone- and pyridooxazinone-pyridone compounds, cardiotonic compositions including same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1989-09-12 US disclosed
US-4829066-A CONGESTIVE HEART FAILURE RORER PHARMACEUTICAL CORPORATION (US) 1989-05-09 US disclosed
US-4822794-A Pyridooxazinone-pyridone compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1989-04-18 US disclosed
WO-1988008705-A1 PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1988-11-17 WO disclosed