SCHEMBL375219

SCHEMBL375219

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@H]1CC[C@H](N)CC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@H]1CC[C@H](NS(C)(=O)=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.67
KDR P35968 5/20 0.62
EPHB4 P54760 4/20 0.62
ERBB2 P04626 3/20 0.62
AURKA O14965 1/20 0.62
INSR P06213 1/20 0.62
FBP1 P09467 1/20 0.62
PDGFRB P09619 1/20 0.62
FLT4 P35916 1/20 0.62
CLK1 P49759 1/20 0.62
TEK Q02763 1/20 0.62
AURKB Q96GD4 1/20 0.62
EPHA2 P29317 3/20 0.60
FLT1 P17948 1/20 0.54

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
SCHEMBL4276159 1.00 EGFR (0.67) EGFRKDREPHB4ERBB2AURKA
SCHEMBL209803 0.96 EGFR (0.72) EGFRKDREPHB4ERBB2AURKA
SCHEMBL119490 0.96 EGFR (0.72) EGFRKDREPHB4ERBB2AURKA
SCHEMBL29623629 0.96 EGFR (0.72) EGFRKDREPHB4ERBB2AURKA
SCHEMBL1446203 0.96 EGFR (0.72) EGFRKDREPHB4ERBB2AURKA
SCHEMBL29623406 0.91 EGFR (0.79) EGFRKDREPHB4ERBB2AURKA
SCHEMBL121215 0.91 EGFR (0.79) EGFRKDREPHB4ERBB2AURKA
SCHEMBL1446479 0.91 EGFR (0.79) EGFRKDREPHB4ERBB2AURKA
SCHEMBL209526 0.91 EGFR (0.79) EGFRKDREPHB4ERBB2AURKA
SCHEMBL208447 0.88 EGFR (0.70) EGFRKDREPHB4ERBB2AURKA

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-2408500-A1 DISPENSING DEVICE, STORAGE DEVICE AND METHOD FOR DISPENSING A FORMULATION Boehringer Ingelheim International GmbH (DE) 2012-01-25 EP disclosed
WO-2009153049-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-23 WO disclosed