SCHEMBL21569006

SCHEMBL21569006

CCN(CC)C/C=C/C(=O)Nc1c(O[C@H]2CCOC2)ccc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.64
▸ ERBB2 P04626 13/20 0.64
▸ GAK O14976 3/20 0.55
▸ ABL1 P00519 3/20 0.55
▸ LCK P06239 3/20 0.55
▸ MET P08581 3/20 0.55
▸ PHKG2 P15735 3/20 0.55
▸ BLK P51451 3/20 0.55
▸ ERBB4 Q15303 3/20 0.55
▸ EPHA6 Q9UF33 3/20 0.55
▸ CIT O14578 2/20 0.55
▸ STK10 O94804 2/20 0.55
▸ LYN P07948 2/20 0.55
▸ HCK P08631 2/20 0.55
▸ SRC P12931 2/20 0.55
▸ AXL P30530 2/20 0.55
▸ FLT3 P36888 2/20 0.55
▸ TXK P42681 2/20 0.55
▸ FRK P42685 2/20 0.55
▸ CSNK1E P49674 2/20 0.55

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
SCHEMBL21569052 0.94 EGFR (0.62) EGFRERBB2GAKABL1LCK
SCHEMBL21569115 0.94 EGFR (0.62) EGFRERBB2GAKABL1LCK
SCHEMBL21569083 0.92 EGFR (0.54) EGFRERBB2GAKABL1LCK
SCHEMBL21568981 0.91 EGFR (0.54) EGFRERBB2GAKABL1LCK
SCHEMBL21569109 0.90 EGFR (0.55) EGFRERBB2GAKABL1LCK
SCHEMBL21569010 0.89 EGFR (0.60) EGFRERBB2ERBB4
SCHEMBL14854815 0.89 EGFR (0.80) EGFRERBB2GAKABL1LCK
SCHEMBL14854817 0.89 EGFR (0.80) EGFRERBB2GAKABL1LCK
SCHEMBL14854816 0.89 EGFR (0.80) EGFRERBB2GAKABL1LCK
SCHEMBL14854813 0.89 EGFR (0.80) EGFRERBB2GAKABL1LCK

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-3222620-B1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2019-11-20 — — EP claimed
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