SCHEMBL28762018

SCHEMBL28762018

C=CC(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1

nearest known ligand 0.88

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.88
ERBB2 P04626 7/20 0.88
SRC P12931 5/20 0.88
FYN P06241 4/20 0.88
BLK P51451 1/20 0.88
BMX P51813 1/20 0.88
JAK3 P52333 1/20 0.88
BTK Q06187 1/20 0.88
ERBB4 Q15303 1/20 0.88
PIK3CD O00329 1/20 0.68

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
SCHEMBL29717476 1.00 EGFR (0.88) EGFRERBB2SRCFYNBLK
SCHEMBL2680536 0.93 EGFR (1.00) EGFRERBB2SRCFYNBLK
SCHEMBL29359583 0.93 EGFR (1.00) EGFRERBB2SRCFYNBLK
SCHEMBL2996153 0.87 EGFR (1.00) EGFRERBB2SRCFYNBLK
SCHEMBL28942731 0.87 EGFR (0.88) EGFRERBB2SRCFYNBLK
SCHEMBL614989 0.85 FYN (1.00) EGFRERBB2SRCFYNBLK
SCHEMBL31060509 0.85 FYN (1.00) EGFRERBB2SRCFYNBLK
SCHEMBL3241277 0.84 FYN (0.78) EGFRERBB2SRCFYNBLK
SCHEMBL7914891 0.84 FYN (0.78) EGFRERBB2SRCFYNBLK
SCHEMBL2991796 0.84 EGFR (1.00) EGFRERBB2SRCFYNBLK

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
CN-110357852-B Benzopyrimidine compounds, preparation method and application 中国药科大学 2022-06-10 CN disclosed