SCHEMBL26916650

SCHEMBL26916650

O=C(O)NCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCBr

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.68
▸ ERBB2 P04626 9/20 0.68
▸ KDR P35968 1/20 0.67
▸ ERBB4 Q15303 3/20 0.64
▸ JAK3 P52333 1/20 0.61

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
SCHEMBL26916743 0.91 EGFR (0.83) EGFRERBB2KDRERBB4JAK3
SCHEMBL29782920 0.90 EGFR (0.65) EGFRERBB2KDRERBB4JAK3
SCHEMBL17498519 0.89 EGFR (0.83) EGFRERBB2ERBB4JAK3
SCHEMBL16405547 0.89 EGFR (0.83) EGFRERBB2ERBB4JAK3
SCHEMBL16398699 0.88 EGFR (0.79) EGFRERBB2ERBB4JAK3
SCHEMBL16398696 0.88 EGFR (0.79) EGFRERBB2ERBB4JAK3
SCHEMBL19124184 0.87 EGFR (0.73) EGFRERBB2ERBB4JAK3
SCHEMBL29731545 0.87 EGFR (0.79) EGFRERBB2ERBB4JAK3
SCHEMBL869098 0.87 EGFR (0.79) EGFRERBB2ERBB4JAK3
SCHEMBL869099 0.87 EGFR (0.79) EGFRERBB2ERBB4JAK3

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
EP-4288781-A1 EXTRACELLULAR VESICLE DRUG ANALYSIS FOR REAL-TIME MONITORING OF TARGETED THERAPY National University of Singapore (SG) 2023-12-13 — — EP disclosed
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