SCHEMBL16178656

SCHEMBL16178656

C=C(C(N)=O)c1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.69
BTK Q06187 4/20 0.69
ITK Q08881 4/20 0.69
JAK2 O60674 1/20 0.69
LYN P07948 1/20 0.69
TEC P42680 1/20 0.69
TXK P42681 1/20 0.69
BMX P51813 1/20 0.69
JAK3 P52333 1/20 0.69
CD69 Q07108 1/20 0.69
SYK P43405 8/20 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
SCHEMBL29431539 1.00 EGFR (0.69) EGFRBTKITKJAK2LYN
SCHEMBL29411924 0.90 EGFR (0.72) EGFRBTKITKJAK2LYN
SCHEMBL28718244 0.90 EGFR (0.72) EGFRBTKITKJAK2LYN
SCHEMBL12518394 0.89 EGFR (0.73) EGFRBTKITKJAK2LYN
SCHEMBL12518393 0.89 EGFR (0.73) EGFRBTKITKJAK2LYN
SCHEMBL30843981 0.88 EGFR (0.72) EGFRBTKITKJAK2LYN
SCHEMBL28711237 0.88 EGFR (0.72) EGFRBTKITKJAK2LYN
SCHEMBL12518395 0.85 EGFR (0.68) EGFRBTKITKJAK2LYN
SCHEMBL29665636 0.84 SYK (0.77) EGFRBTKITKJAK2LYN
SCHEMBL27020093 0.84 SYK (0.77) EGFRBTKITKJAK2LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2986319-A1 COMBINATION THERAPY COMPRISING A TOR KINASE INHIBITOR AND N-(3-(5-FLUORO-2-(4-(2-METHOXYETHOXY)PHENYLAMINO)PYRIMIDIN-4-YLAMINO)PHENYL)ACRYLAMIDE FOR TREATING CANCER Signal Pharmaceuticals, LLC (US) 2016-02-24 EP disclosed
WO-2014172430-A1 COMBINATION THERAPY COMPRISING A TOR KINASE INHIBITOR AND N-(3-(5-FLUORO-2-(4-(2-METHOXYETHOXY)PHENYLAMINO)PYRIMIDIN-4-YLAMINO)PHENYL)ACRYLAMIDE FOR TREATING CANCER SIGNAL PHARMACEUTICALS, LLC (US) 2014-10-23 WO disclosed