SCHEMBL21761366

SCHEMBL21761366

CCOCCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CBr

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.84
▸ ERBB2 P04626 10/20 0.84
▸ ERBB4 Q15303 2/20 0.64
▸ JAK3 P52333 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
SCHEMBL16398699 0.92 EGFR (0.79) EGFRERBB2ERBB4JAK3
SCHEMBL16398696 0.92 EGFR (0.79) EGFRERBB2ERBB4JAK3
SCHEMBL17538540 0.92 EGFR (0.87) EGFRERBB2
SCHEMBL16405547 0.92 EGFR (0.83) EGFRERBB2ERBB4JAK3
SCHEMBL17498519 0.92 EGFR (0.83) EGFRERBB2ERBB4JAK3
SCHEMBL17538533 0.92 EGFR (0.87) EGFRERBB2
SCHEMBL17538529 0.91 EGFR (1.00) EGFRERBB2ERBB4JAK3
SCHEMBL17538532 0.91 EGFR (1.00) EGFRERBB2
SCHEMBL19027162 0.91 EGFR (0.88) EGFRERBB2
SCHEMBL17538534 0.91 EGFR (1.00) EGFRERBB2

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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