SCHEMBL26428766

SCHEMBL26428766

COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1OF

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 18/20 0.55
▸ EGFR P00533 7/20 0.48
▸ NQO2 P16083 1/20 0.43
▸ FECH P22830 1/20 0.43
▸ MYH14 Q7Z406 1/20 0.43
▸ RIPK3 Q9Y572 1/20 0.43

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
SCHEMBL21808064 0.85 ERBB2 (0.64) ERBB2EGFR
SCHEMBL21808075 0.85 ERBB2 (0.53) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30513791 0.84 ERBB2 (0.67) ERBB2EGFR
SCHEMBL21886727 0.84 ERBB2 (0.56) ERBB2EGFR
SCHEMBL30513788 0.84 ERBB2 (0.56) ERBB2EGFR
SCHEMBL21886725 0.84 ERBB2 (0.67) ERBB2EGFR
SCHEMBL27125302 0.84 ERBB2 (0.71) ERBB2EGFR
SCHEMBL21808160 0.84 ERBB2 (0.71) ERBB2EGFR
SCHEMBL21808013 0.84 ERBB2 (0.71) ERBB2EGFR
SCHEMBL21807993 0.84 ERBB2 (0.55) ERBB2EGFR

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
WO-2023066296-A1 CRYSTALLINE FORMS OF QUINAZOLINE DERIVATIVES, PREPARATION, COMPOSITION AND USE THEREOF SUZHOU ZANRONG PHARMA LIMITED (CN) 2023-04-27 — — WO disclosed
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