SCHEMBL21748179

SCHEMBL21748179

O=C(/C=C/CBr)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1COCCO1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.78
▸ ERBB2 P04626 17/20 0.78
▸ CIT O14578 1/20 0.63
▸ GAK O14976 1/20 0.63
▸ EPHB6 O15197 1/20 0.63
▸ RIPK2 O43353 1/20 0.63
▸ STK10 O94804 1/20 0.63
▸ ABL1 P00519 1/20 0.63
▸ LCK P06239 1/20 0.63
▸ LYN P07948 1/20 0.63
▸ RET P07949 1/20 0.63
▸ CHRM2 P08172 1/20 0.63
▸ MET P08581 1/20 0.63
▸ HCK P08631 1/20 0.63
▸ SRC P12931 1/20 0.63
▸ PHKG2 P15735 1/20 0.63
▸ ADRA2B P18089 1/20 0.63
▸ ERBB3 P21860 1/20 0.63
▸ AXL P30530 1/20 0.63
▸ CCKAR P32238 1/20 0.63

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
SCHEMBL16398581 1.00 EGFR (0.78) EGFRERBB2CITGAKEPHB6
SCHEMBL17821491 1.00 EGFR (0.78) EGFRERBB2CITGAKEPHB6
SCHEMBL16399318 1.00 EGFR (0.78) EGFRERBB2CITGAKEPHB6
SCHEMBL17821485 1.00 EGFR (0.78) EGFRERBB2CITGAKEPHB6
SCHEMBL17821484 1.00 EGFR (0.78) EGFRERBB2CITGAKEPHB6
SCHEMBL21761408 0.90 EGFR (0.82) EGFRERBB2GAKRIPK2LCK
SCHEMBL21748181 0.89 EGFR (0.83) EGFRERBB2CITGAKEPHB6
SCHEMBL21748182 0.89 EGFR (0.83) EGFRERBB2CITGAKEPHB6
SCHEMBL17821505 0.89 EGFR (0.83) EGFRERBB2CITGAKEPHB6
SCHEMBL16405369 0.89 EGFR (0.83) EGFRERBB2CITGAKEPHB6

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-3022186-B1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2020-02-26 — — EP disclosed
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