SCHEMBL5076864

SCHEMBL5076864

CC1(C)CN(CCOc2cc3cncnc3cc2OCNc2ccc(F)c(Cl)c2)CC(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.44
CIT O14578 1/20 0.40
GAK O14976 1/20 0.40
EPHB6 O15197 1/20 0.40
ABCC4 O15439 1/20 0.40
DAPK3 O43293 1/20 0.40
RIPK2 O43353 1/20 0.40
NR1I2 O75469 1/20 0.40
RPS6KA4 O75676 1/20 0.40
STK17B O94768 1/20 0.40
STK10 O94804 1/20 0.40
PRKD3 O94806 1/20 0.40
ABCB11 O95342 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
ABL1 P00519 1/20 0.40
ERBB2 P04626 1/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40

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
SCHEMBL29623584 0.78 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL185140 0.78 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL1384741 0.78 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL7690931 0.76 EGFR (0.60) EGFRCITGAKEPHB6ABCC4
SCHEMBL1386500 0.75 EGFR (0.63) EGFRCITGAKEPHB6ABCC4
SCHEMBL1384221 0.75 EGFR (0.63) EGFRCITGAKEPHB6ABCC4
SCHEMBL14837536 0.74 EGFR (0.59) EGFRCITGAKEPHB6ABCC4
SCHEMBL1386645 0.74 EGFR (0.59) EGFRCITGAKEPHB6ABCC4
SCHEMBL1386399 0.74 EGFR (0.59) EGFRCITGAKEPHB6ABCC4
SCHEMBL1383540 0.74 EGFR (0.59) EGFRCITGAKEPHB6ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915155-A1 DIHYDROPTERIDINONES IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2008-04-30 EP disclosed
EP-1799191-A1 MODIFYING SURFACES OF LACTOSE SERVING AS AN AUXILIARY AGENT TO BE USED FOR POWDER INHALANTS Boehringer Ingelheim International GmbH (DE) 2007-06-27 EP disclosed
WO-2007014838-A1 DIHYDROPTERIDINONES IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 WO disclosed
WO-2006037738-A1 MODIFYING SURFACES OF LACTOSE SERVING AS AN AUXILIARY AGENT TO BE USED FOR POWDER INHALANTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-13 WO disclosed