SCHEMBL6992354

SCHEMBL6992354

c1ncc2ccc(OC3CCCC3)cc2n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.58
▸ ROCK1 Q13464 3/20 0.46
▸ IKBKB O14920 1/20 0.46
▸ ABL1 P00519 2/20 0.45
▸ PDGFRB P09619 2/20 0.45
▸ PDGFRA P16234 2/20 0.45
▸ PRKCZ Q05513 2/20 0.42
▸ SRC P12931 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAOB P27338 1/20 0.38

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
SCHEMBL12473678 0.82 EGFR (0.51) EGFRIKBKBPRKCZ
SCHEMBL29817771 0.82 EGFR (0.51) EGFRIKBKBPRKCZ
SCHEMBL29838789 0.82 EGFR (0.51) EGFRIKBKBPRKCZ
SCHEMBL12473675 0.82 EGFR (0.51) EGFRIKBKBPRKCZ
SCHEMBL13837704 0.77 EGFR (0.73) EGFRABL1PDGFRBPDGFRA
SCHEMBL2488995 0.76 EGFR (0.58) EGFRPRKCZ
SCHEMBL668493 0.74 EGFR (1.00) EGFRPDGFRBPDGFRA
SCHEMBL29517021 0.74 EGFR (1.00) EGFRPDGFRBPDGFRA
SCHEMBL30241125 0.74 EGFR (1.00) EGFRPDGFRBPDGFRA
SCHEMBL7846966 0.74 EGFR (0.55) EGFR

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
CN-103272730-B Nebulizer 贝林格尔.英格海姆国际有限公司 2016-12-07 — — CN disclosed
EP-2606042-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2013-06-26 — — EP disclosed
EP-2606043-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2013-06-26 — — EP disclosed
WO-2012163704-A2 INHALATOR AND CAPSULE FOR AN INHALATOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 — — WO disclosed
WO-2012022796-A2 NOVEL COMBINATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 — — WO disclosed
WO-2012022795-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 — — WO disclosed
WO-2012022794-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 — — WO disclosed
EP-1315705-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2003-06-04 — — EP disclosed
WO-2002018351-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 — — WO disclosed
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