SCHEMBL21568979

SCHEMBL21568979

COC(C)(NC/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cc1OC1CCOC1)OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.65
▸ ERBB2 P04626 13/20 0.65
▸ GAK O14976 3/20 0.59
▸ ABL1 P00519 3/20 0.59
▸ LCK P06239 3/20 0.59
▸ MET P08581 3/20 0.59
▸ PHKG2 P15735 3/20 0.59
▸ BLK P51451 3/20 0.59
▸ ERBB4 Q15303 3/20 0.59
▸ EPHA6 Q9UF33 3/20 0.59
▸ CIT O14578 2/20 0.59
▸ STK10 O94804 2/20 0.59
▸ LYN P07948 2/20 0.59
▸ HCK P08631 2/20 0.59
▸ SRC P12931 2/20 0.59
▸ AXL P30530 2/20 0.59
▸ FLT3 P36888 2/20 0.59
▸ TXK P42681 2/20 0.59
▸ FRK P42685 2/20 0.59
▸ CSNK1E P49674 2/20 0.59

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
SCHEMBL14854769 1.00 EGFR (0.65) EGFRERBB2GAKABL1LCK
SCHEMBL14854775 1.00 EGFR (0.65) EGFRERBB2GAKABL1LCK
SCHEMBL14854773 1.00 EGFR (0.65) EGFRERBB2GAKABL1LCK
SCHEMBL16510288 0.92 EGFR (0.75) EGFRERBB2GAKABL1LCK
SCHEMBL27894175 0.90 EGFR (0.66) EGFRERBB2GAKABL1LCK
SCHEMBL28804904 0.90 EGFR (0.66) EGFRERBB2GAKABL1LCK
SCHEMBL14854674 0.90 EGFR (0.64) EGFRERBB2ERBB4
SCHEMBL21569112 0.90 EGFR (0.64) EGFRERBB2ERBB4
SCHEMBL14854672 0.90 EGFR (0.64) EGFRERBB2ERBB4
SCHEMBL14854668 0.90 EGFR (0.64) EGFRERBB2ERBB4

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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