SCHEMBL22804186

SCHEMBL22804186

COc1cc(N2CCC(N3CC(CC#N)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00

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
SCHEMBL22804170 0.93 EGFR (0.86) EGFR
SCHEMBL22821952 0.92 EGFR (1.00) EGFR
SCHEMBL22821736 0.92 EGFR (1.00) EGFR
SCHEMBL22821967 0.91 EGFR (0.83) EGFR
SCHEMBL22821977 0.89 EGFR (0.88) EGFR
SCHEMBL22821898 0.89 EGFR (0.88) EGFR
SCHEMBL22821945 0.89 EGFR (0.91) EGFR
SCHEMBL22821815 0.89 EGFR (1.00) EGFR
SCHEMBL25371354 0.89 EGFR (0.83) EGFR
SCHEMBL22821734 0.89 EGFR (0.83) 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 3 patents. 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
WO-2020253862-A1 NITROGEN-CONTAINING ARYL PHOSPHORUS OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-24 — — WO disclosed
WO-2020253862-A1 NITROGEN-CONTAINING ARYL PHOSPHORUS OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-24 — — WO disclosed
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