SCHEMBL10064985

SCHEMBL10064985

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)cc3OC)ncc2I)c1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.81
ITK Q08881 2/20 0.64
PLK4 O00444 1/20 0.62
GAK O14976 1/20 0.62
NUAK1 O60285 1/20 0.62
JAK2 O60674 1/20 0.62
FLT3 P36888 1/20 0.62
BLK P51451 1/20 0.62
BMX P51813 1/20 0.62
JAK3 P52333 1/20 0.62
CTSC P53634 1/20 0.62
PTK2 Q05397 1/20 0.62
BTK Q06187 1/20 0.62
ERBB4 Q15303 1/20 0.62
DCLK3 Q9C098 1/20 0.62
NUAK2 Q9H093 1/20 0.62
EML4 Q9HC35 1/20 0.62
EIF2AK4 Q9P2K8 1/20 0.62
ALK Q9UM73 1/20 0.62

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
SCHEMBL9923760 0.91 EGFR (0.83) EGFRITKPLK4GAKNUAK1
SCHEMBL5585132 0.90 EGFR (1.00) EGFRITKPLK4GAKNUAK1
SCHEMBL9893595 0.90 EGFR (1.00) EGFRITKPLK4GAKNUAK1
SCHEMBL9925293 0.89 EGFR (0.81) EGFRITKBTK
SCHEMBL5585054 0.88 EGFR (1.00) EGFR
SCHEMBL12519542 0.84 EGFR (0.79) EGFRITKJAK3BTK
SCHEMBL4169092 0.84 EGFR (0.85) EGFRITKPLK4GAKNUAK1
SCHEMBL19360703 0.84 EGFR (0.72) EGFRITKPLK4GAKNUAK1
SCHEMBL21338057 0.84 EGFR (0.72) EGFRITKPLK4GAKNUAK1
SCHEMBL9946951 0.83 EGFR (0.75) EGFRITKPLK4GAKNUAK1

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
WO-2012061303-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 WO disclosed