SCHEMBL23442680

SCHEMBL23442680

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2ccsc2)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.79

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
SCHEMBL23420457 0.93 EGFR (0.82) EGFR
SCHEMBL23420381 0.92 EGFR (0.82) EGFR
SCHEMBL25001540 0.92 EGFR (0.79) EGFR
SCHEMBL22950985 0.91 EGFR (0.80) EGFR
SCHEMBL29857904 0.91 EGFR (0.80) EGFR
SCHEMBL23441956 0.91 EGFR (0.78) EGFR
SCHEMBL23420455 0.90 EGFR (0.79) EGFR
SCHEMBL23441963 0.90 EGFR (0.63) EGFR
SCHEMBL23420475 0.90 EGFR (0.78) EGFR
SCHEMBL23441966 0.90 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
WO-2021104441-A1 POLYAROMATIC COMPOUND AS EGFR KINASE INHIBITOR 江苏先声药业有限公司 2021-06-03 — — WO disclosed
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