SCHEMBL5040071

SCHEMBL5040071

COc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(OCCCN3CCOCC3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.61
▸ ERBB2 P04626 5/20 0.61
▸ BRAF P15056 3/20 0.61
▸ KDR P35968 3/20 0.61
▸ SRC P12931 3/20 0.61
▸ CIT O14578 2/20 0.61
▸ GAK O14976 2/20 0.61
▸ EPHB6 O15197 2/20 0.61
▸ RIPK2 O43353 2/20 0.61
▸ STK17B O94768 2/20 0.61
▸ STK10 O94804 2/20 0.61
▸ ABL1 P00519 2/20 0.61
▸ LCK P06239 2/20 0.61
▸ LYN P07948 2/20 0.61
▸ RET P07949 2/20 0.61
▸ MET P08581 2/20 0.61
▸ HCK P08631 2/20 0.61
▸ FGR P09769 2/20 0.61
▸ KIT P10721 2/20 0.61
▸ EPHA1 P21709 2/20 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
SCHEMBL12474212 0.87 EGFR (0.64) EGFRERBB2BRAFKDRSRC
SCHEMBL4156430 0.85 EGFR (0.61) EGFRBRAFKDRSRCABL1
SCHEMBL27727371 0.85 EGFR (0.65) EGFRERBB2BRAFKDRSRC
SCHEMBL1151056 0.82 EGFR (0.82) EGFRERBB2BRAFKDRSRC
Hydrochloric Acid SCHEMBL15565027 0.81 EGFR (0.81) EGFRERBB2BRAFKDRSRC
SCHEMBL5690020 0.81 EGFR (0.65) EGFRERBB2BRAFKDRSRC
SCHEMBL29487207 0.79 EGFR (0.66) EGFRERBB2BRAFKDRSRC
SCHEMBL2452115 0.79 EGFR (0.66) EGFRERBB2BRAFKDRSRC
SCHEMBL30213670 0.77 EGFR (0.54) EGFRERBB2BRAFKDRSRC
SCHEMBL7766288 0.77 EGFR (0.73) EGFRERBB2BRAFKDRSRC

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-1915381-A1 BORON COMPOUNDS USEFUL IN BNCT Hammercap AB (SE) 2008-04-30 — — EP disclosed
WO-2007021234-A1 BORON COMPOUNDS USEFUL IN BNCT HAMMERCAP AB (SE) 2007-02-22 — — WO disclosed
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