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SCHEMBL17059677

SCHEMBL17059677

C=CC(=O)Nc1cccc(NC(=O)Nc2ccnc(Nc3ccc(OCCOC)cc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 1.00
▸ BTK Q06187 7/20 0.67
▸ ITK Q08881 2/20 0.67
▸ JAK2 O60674 1/20 0.67
▸ LYN P07948 1/20 0.67
▸ TEC P42680 1/20 0.67
▸ TXK P42681 1/20 0.67
▸ BMX P51813 1/20 0.67
▸ JAK3 P52333 1/20 0.67
▸ CD69 Q07108 1/20 0.67

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
SCHEMBL17059638 0.90 EGFR (0.82) EGFRBTKITKJAK2LYN
SCHEMBL17059589 0.85 EGFR (0.80) EGFRBTKITK
SCHEMBL17059708 0.83 EGFR (0.77) EGFRITK
SCHEMBL17059692 0.83 EGFR (0.77) EGFRBTKITK
SCHEMBL17059596 0.82 EGFR (1.00) EGFRBTKITK
SCHEMBL17059632 0.82 EGFR (0.75) EGFRITK
SCHEMBL26158821 0.81 EGFR (0.82) EGFRBTKITKJAK2LYN
SCHEMBL20360590 0.81 EGFR (0.68) EGFRBTKITKJAK2LYN
SCHEMBL17059693 0.81 EGFR (0.77) EGFRBTKITK
Spebrutinib SCHEMBL626216 0.80 EGFR (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015127873-A1 ARYLAMINO PYRAMIDINE COMPOUND AND APPLICATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM 上海海雁医药科技有限公司 2015-09-03 — — WO disclosed