SCHEMBL29847707

SCHEMBL29847707

C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(OCCOC)cc4)nc23)c1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.85
▸ BTK Q06187 12/20 0.67
▸ ITK Q08881 4/20 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
▸ FGFR2 P21802 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
SCHEMBL16514391 1.00 EGFR (0.85) EGFRBTKITKJAK2LYN
SCHEMBL29847612 0.92 EGFR (1.00) EGFRBTKITKJAK2LYN
SCHEMBL16514281 0.92 EGFR (1.00) EGFRBTKITKJAK2LYN
SCHEMBL21156030 0.90 EGFR (0.80) EGFRBTKITKJAK3FGFR2
SCHEMBL16514613 0.90 EGFR (0.83) EGFRBTKITKJAK2LYN
SCHEMBL29848073 0.90 EGFR (0.83) EGFRBTKITKJAK2LYN
SCHEMBL15987165 0.87 EGFR (0.65) EGFRBTKITKJAK2LYN
SCHEMBL16514035 0.86 EGFR (0.79) EGFRBTKJAK3FGFR2
SCHEMBL29847049 0.86 EGFR (0.79) EGFRBTKJAK3FGFR2
SCHEMBL20807715 0.85 EGFR (0.77) EGFRBTKITKJAK2JAK3

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
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
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