SCHEMBL24940724

SCHEMBL24940724

COc1cc(N2CC3(CCN(C)CC3)C2)c(Cl)cc1Nc1ncc(Cl)c(Nc2ccc(C)c(C)c2P(C)(C)=O)n1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.69
▸ ALK Q9UM73 9/20 0.68
▸ INSR P06213 1/20 0.54
▸ IGF1R P08069 1/20 0.54

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
SCHEMBL24940080 0.96 EGFR (0.74) EGFRALKINSRIGF1R
SCHEMBL24940722 0.93 EGFR (0.62) EGFRALK
SCHEMBL30105883 0.93 EGFR (0.65) EGFRALKINSRIGF1R
SCHEMBL24940072 0.93 EGFR (0.65) EGFRALKINSRIGF1R
SCHEMBL24940721 0.89 EGFR (0.67) EGFRALKINSRIGF1R
SCHEMBL31498849 0.88 ALK (0.68) EGFRALKINSRIGF1R
SCHEMBL24940081 0.88 ALK (0.68) EGFRALKINSRIGF1R
SCHEMBL24940073 0.87 ALK (0.77) EGFRALKINSRIGF1R
SCHEMBL30105846 0.87 ALK (0.77) EGFRALKINSRIGF1R
SCHEMBL24940927 0.87 EGFR (0.64) EGFRALKINSRIGF1R

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-2023006088-A1 COMPOUND FOR EGFR KINASE INHIBITOR, COMPOSITION AND USE THEREOF 浙江大学智能创新药物研究院 2023-02-02 — — WO disclosed
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