SCHEMBL29094597

SCHEMBL29094597

COc1cc(N2CCNCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cnc3ccccc3c2P(C)(C)=O)n1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.58
▸ BTK Q06187 1/20 0.56
▸ MAP4K1 Q92918 1/20 0.47
▸ ALK Q9UM73 1/20 0.45

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
Hydrochloric Acid SCHEMBL31155488 0.94 EGFR (0.60) EGFRBTK
SCHEMBL23420454 0.92 EGFR (0.67) EGFRBTKMAP4K1
SCHEMBL29094586 0.92 EGFR (0.54) EGFRBTKMAP4K1
SCHEMBL29094520 0.91 EGFR (0.63) EGFRBTKMAP4K1
Hydrochloric Acid SCHEMBL29094650 0.91 EGFR (0.63) EGFRBTKMAP4K1
SCHEMBL23420406 0.90 EGFR (0.68) EGFRBTK
SCHEMBL23442859 0.90 EGFR (0.61) EGFRBTKMAP4K1ALK
SCHEMBL23442001 0.89 EGFR (0.69) EGFRBTKALK
SCHEMBL31155448 0.89 EGFR (0.54) EGFRBTK
Hydrochloric Acid SCHEMBL29094608 0.89 EGFR (0.50) EGFRBTKMAP4K1ALK

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-116891502-A EGFR degrading agent 上海齐鲁制药研究中心有限公司 2023-10-17 — — CN disclosed
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