SCHEMBL31289136

SCHEMBL31289136

COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C(=O)OC(C)C)c(-c2cn(C)c3ccccc23)n1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.66
ERBB2 P04626 1/20 0.60
ERBB3 P21860 1/20 0.60
ERBB4 Q15303 1/20 0.60

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
SCHEMBL23880655 1.00 EGFR (0.66) EGFRERBB2ERBB3ERBB4
SCHEMBL17385141 0.93 EGFR (0.63) EGFRERBB2ERBB3ERBB4
SCHEMBL30748688 0.93 EGFR (0.63) EGFRERBB2ERBB3ERBB4
SCHEMBL29146006 0.92 EGFR (0.56) EGFRERBB2ERBB3ERBB4
SCHEMBL24464114 0.92 EGFR (0.55) EGFRERBB2ERBB3ERBB4
SCHEMBL19103269 0.91 EGFR (0.57) EGFRERBB2ERBB3ERBB4
SCHEMBL19103257 0.91 EGFR (0.54) EGFRERBB2ERBB3ERBB4
SCHEMBL28839358 0.91 EGFR (0.57) EGFRERBB2ERBB3ERBB4
SCHEMBL17384784 0.90 EGFR (0.66) EGFRERBB2ERBB3ERBB4
SCHEMBL24771072 0.90 EGFR (0.53) EGFRERBB2ERBB3ERBB4

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-119219605-A Bifunctional compound for targeted degradation of EGFR protein, and pharmaceutical composition, pharmaceutical preparation and application thereof 北京福元医药股份有限公司 2024-12-31 CN disclosed