SCHEMBL19360705

SCHEMBL19360705

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)c(C)c3OC)ncc2C)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.74
BTK Q06187 2/20 0.65
ITK Q08881 2/20 0.58
PLK4 O00444 1/20 0.57
GAK O14976 1/20 0.57
NUAK1 O60285 1/20 0.57
JAK2 O60674 1/20 0.57
FLT3 P36888 1/20 0.57
BLK P51451 1/20 0.57
BMX P51813 1/20 0.57
JAK3 P52333 1/20 0.57
CTSC P53634 1/20 0.57
PTK2 Q05397 1/20 0.57
ERBB4 Q15303 1/20 0.57
DCLK3 Q9C098 1/20 0.57
NUAK2 Q9H093 1/20 0.57
EML4 Q9HC35 1/20 0.57
EIF2AK4 Q9P2K8 1/20 0.57
ALK Q9UM73 1/20 0.57

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
SCHEMBL9923761 0.94 EGFR (0.83) EGFRBTKITK
SCHEMBL9923765 0.92 EGFR (0.82) EGFRBTKITK
SCHEMBL19360701 0.92 EGFR (0.88) EGFRBTKITKPLK4GAK
SCHEMBL19360702 0.92 EGFR (0.88) EGFRBTKITK
SCHEMBL9923757 0.89 EGFR (0.82) EGFRBTKITK
SCHEMBL9923760 0.88 EGFR (0.83) EGFRBTKITKPLK4GAK
SCHEMBL19360703 0.88 EGFR (0.72) EGFRBTKITKPLK4GAK
SCHEMBL19360704 0.86 EGFR (0.72) EGFRBTKITK
SCHEMBL5585393 0.85 EGFR (1.00) EGFRBTKITKPLK4GAK
SCHEMBL5585427 0.85 EGFR (1.00) EGFRBTK

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
US-9765038-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2017-09-19 US disclosed