SCHEMBL22595199

SCHEMBL22595199

CNc1nc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.75

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
SCHEMBL22596082 0.92 EGFR (0.76) EGFR
SCHEMBL22596185 0.91 EGFR (0.80) EGFR
SCHEMBL22596081 0.90 EGFR (0.72) EGFR
SCHEMBL22595158 0.87 EGFR (0.70) EGFR
SCHEMBL26906791 0.86 EGFR (0.84) EGFR
SCHEMBL30381642 0.86 EGFR (1.00) EGFR
SCHEMBL22025688 0.86 EGFR (1.00) EGFR
Trifluoroacetic Acid SCHEMBL22587624 0.86 EGFR (0.72) EGFR
SCHEMBL22595203 0.85 EGFR (0.82) EGFR
SCHEMBL22596146 0.84 EGFR (0.77) 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-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 — — WO disclosed
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