SCHEMBL28529304

SCHEMBL28529304

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C#C[Si](C)(C)C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)C)n1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.64

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
SCHEMBL28908567 0.93 EGFR (0.54) EGFR
SCHEMBL28533927 0.92 EGFR (0.66) EGFR
SCHEMBL28538584 0.92 EGFR (0.66) EGFR
SCHEMBL22821782 0.89 EGFR (0.80) EGFR
SCHEMBL22025925 0.89 EGFR (0.79) EGFR
SCHEMBL28541898 0.88 EGFR (0.68) EGFR
SCHEMBL26906805 0.88 EGFR (0.68) EGFR
SCHEMBL24953715 0.88 EGFR (0.67) EGFR
SCHEMBL30019099 0.88 EGFR (0.67) EGFR
SCHEMBL22595134 0.88 EGFR (0.67) 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
CN-112513029-A Nitrogen-containing aryl phosphorus oxide derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-03-16 — — CN disclosed
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