SCHEMBL26916610

SCHEMBL26916610

CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCNC(=O)CNC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.78
▸ ERBB2 P04626 15/20 0.78
▸ ERBB4 Q15303 3/20 0.64
▸ GAK O14976 2/20 0.64
▸ ABL1 P00519 2/20 0.64
▸ LCK P06239 2/20 0.64
▸ MET P08581 2/20 0.64
▸ PHKG2 P15735 2/20 0.64
▸ BLK P51451 2/20 0.64
▸ IRAK1 P51617 2/20 0.64
▸ DYRK1A Q13627 2/20 0.64
▸ HIPK4 Q8NE63 2/20 0.64
▸ EPHA6 Q9UF33 2/20 0.64
▸ CIT O14578 1/20 0.64
▸ EPHB6 O15197 1/20 0.64
▸ RIPK2 O43353 1/20 0.64
▸ STK10 O94804 1/20 0.64
▸ LYN P07948 1/20 0.64
▸ RET P07949 1/20 0.64
▸ CHRM2 P08172 1/20 0.64

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 0.95 EGFR (0.83) EGFRERBB2ERBB4GAKABL1
SCHEMBL29782752 0.88 EGFR (0.78) EGFRERBB2ERBB4GAKABL1
SCHEMBL17538522 0.88 EGFR (1.00) EGFRERBB2ERBB4GAKABL1
SCHEMBL29782749 0.87 EGFR (0.67) EGFRERBB2ERBB4GAKABL1
SCHEMBL19026991 0.87 EGFR (0.81) EGFRERBB2ERBB4GAKABL1
SCHEMBL17538548 0.86 EGFR (0.80) EGFRERBB2ERBB4GAKABL1
SCHEMBL26916650 0.86 EGFR (0.68) EGFRERBB2ERBB4JAK3KDR
SCHEMBL19639014 0.86 EGFR (0.87) EGFRERBB2ERBB4GAKABL1
SCHEMBL30101593 0.86 EGFR (0.87) EGFRERBB2ERBB4GAKABL1
SCHEMBL17538538 0.85 EGFR (1.00) EGFRERBB2ERBB4GAKABL1

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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