SCHEMBL19861637

SCHEMBL19861637

CC(C)n1c(COC2CCCCO2)nc2cnc(Nc3ccnc(N4CCC[C@H](C)C4)n3)cc21

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.54
▸ ERBB2 P04626 1/20 0.44

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
SCHEMBL19015630 1.00 EGFR (0.54) EGFRERBB2
SCHEMBL19015241 0.92 EGFR (0.60) EGFRERBB2
SCHEMBL15749712 0.90 EGFR (0.61) EGFR
SCHEMBL15749313 0.90 EGFR (0.61) EGFR
SCHEMBL17438356 0.90 EGFR (0.61) EGFR
SCHEMBL17438322 0.90 EGFR (0.61) EGFR
SCHEMBL17438321 0.90 EGFR (0.61) EGFR
SCHEMBL17438502 0.89 EGFR (0.62) EGFRERBB2
SCHEMBL17438504 0.89 EGFR (0.62) EGFRERBB2
SCHEMBL17447772 0.88 EGFR (0.57) EGFR

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
US-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 — — US disclosed
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