SCHEMBL1920117

SCHEMBL1920117

CC1(C)CN(CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OCC2CCCO2)CC(=O)O1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCC(N2CCOC(=O)C2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.57
EPHA2 P29317 7/20 0.56
KDR P35968 6/20 0.56
EPHB4 P54760 5/20 0.56
ERBB2 P04626 3/20 0.54
CIT O14578 1/20 0.54
GAK O14976 1/20 0.54
EPHB6 O15197 1/20 0.54
ABCC4 O15439 1/20 0.54
DAPK3 O43293 1/20 0.54
RIPK2 O43353 1/20 0.54
NR1I2 O75469 1/20 0.54
RPS6KA4 O75676 1/20 0.54
STK17B O94768 1/20 0.54
STK10 O94804 1/20 0.54
PRKD3 O94806 1/20 0.54
ABCB11 O95342 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
ABL1 P00519 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
SCHEMBL1920116 1.00 EGFR (0.57) EGFREPHA2KDREPHB4ERBB2
SCHEMBL1920705 0.92 KDR (0.64) EGFREPHA2KDREPHB4ERBB2
SCHEMBL1920704 0.92 KDR (0.64) EGFREPHA2KDREPHB4ERBB2
SCHEMBL5225680 0.91 EGFR (0.57) EGFREPHA2KDREPHB4ERBB2
SCHEMBL5229214 0.91 EGFR (0.57) EGFREPHA2KDREPHB4ERBB2
SCHEMBL232029 0.90 KDR (0.59) EGFREPHA2KDREPHB4ERBB2
SCHEMBL185763 0.90 KDR (0.59) EGFREPHA2KDREPHB4ERBB2
SCHEMBL185292 0.90 KDR (0.59) EGFREPHA2KDREPHB4ERBB2
SCHEMBL210419 0.90 KDR (0.59) EGFREPHA2KDREPHB4ERBB2
SCHEMBL29623758 0.90 KDR (0.59) EGFREPHA2KDREPHB4ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326374-A1 INHALER Boehringer Ingelheim International GmbH (DE) 2011-06-01 EP disclosed
EP-2018201-A1 ATOMISER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
WO-2007134794-A1 ATOMISER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-29 WO disclosed