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SCHEMBL2782327

SCHEMBL2782327

CCN(CC=CC(=O)Nc1cc2c(NC(C)c3ccccc3)ncnc2cc1OCC1CC1)CCOC.COCCN(CC=CC(=O)Nc1cc2c(NC(C)c3ccccc3)ncnc2cc1OCC1CC1)CCOC

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.54
▸ ERBB2 P04626 8/20 0.47
▸ JAK3 P52333 1/20 0.44
▸ ERBB4 Q15303 1/20 0.44

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
SCHEMBL2782329 1.00 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL232346 0.99 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL29623604 0.99 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL196745 0.99 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL232347 0.99 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL229680 0.97 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL29623524 0.97 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL225220 0.97 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL229679 0.97 EGFR (0.54) EGFRERBB2JAK3ERBB4
SCHEMBL380694 0.96 EGFR (0.51) EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393492-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2011-12-14 — — EP disclosed
WO-2010089391-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 — — WO disclosed