SCHEMBL17826933

SCHEMBL17826933

CC(C)[N@@+](C)(C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1)Cc1c([N+](=O)[O-])n2n1C2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.68
ERBB2 P04626 7/20 0.65
GAK O14976 2/20 0.65
ABL1 P00519 2/20 0.65
LCK P06239 2/20 0.65
MET P08581 2/20 0.65
PHKG2 P15735 2/20 0.65
BLK P51451 2/20 0.65
IRAK1 P51617 2/20 0.65
DYRK1A Q13627 2/20 0.65
ERBB4 Q15303 2/20 0.65
HIPK4 Q8NE63 2/20 0.65
EPHA6 Q9UF33 2/20 0.65
CIT O14578 1/20 0.65
EPHB6 O15197 1/20 0.65
RIPK2 O43353 1/20 0.65
STK10 O94804 1/20 0.65
LYN P07948 1/20 0.65
RET P07949 1/20 0.65
CHRM2 P08172 1/20 0.65

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
SCHEMBL18162786 0.84 EGFR (0.81) EGFRERBB2GAKABL1LCK
SCHEMBL29779432 0.84 EGFR (0.81) EGFRERBB2GAKABL1LCK
SCHEMBL17503015 0.84 EGFR (0.67) EGFRERBB2GAKABL1LCK
Bromide SCHEMBL868455 0.84 EGFR (0.67) EGFRERBB2GAKABL1LCK
SCHEMBL28412150 0.82 EGFR (0.84) EGFRERBB2GAKABL1LCK
SCHEMBL17412655 0.82 EGFR (0.68) EGFRERBB2GAKABL1LCK
Trifluoroacetic Acid SCHEMBL868626 0.81 EGFR (0.64) EGFRERBB2GAKABL1LCK
SCHEMBL17448813 0.81 EGFR (0.86) EGFRERBB2GAKABL1LCK
SCHEMBL28418910 0.81 EGFR (0.89) EGFRERBB2GAKABL1LCK
SCHEMBL28413605 0.81 EGFR (0.85) EGFRERBB2GAKABL1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031807-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY Auckland UniServices Limited (NZ) 2016-06-15 EP disclosed