SCHEMBL29731571

SCHEMBL29731571

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC(=O)O)CC1

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 12/20 0.87
EGFR P00533 10/20 0.87
GAK O14976 1/20 0.86
RIPK2 O43353 1/20 0.86
LYN P07948 1/20 0.86
RET P07949 1/20 0.86
EPHA1 P21709 1/20 0.86
ERBB3 P21860 1/20 0.86
EPHA2 P29317 1/20 0.86
EPHB2 P29323 1/20 0.86
EPHA5 P54756 1/20 0.86
EPHB4 P54760 1/20 0.86
EPHA4 P54764 1/20 0.86
ADK P55263 1/20 0.86
PTK6 Q13882 1/20 0.86
RIPK3 Q9Y572 1/20 0.86

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
SCHEMBL4884254 1.00 ERBB2 (0.87) ERBB2EGFRGAKRIPK2LYN
Hydrochloric Acid SCHEMBL4878789 0.99 ERBB2 (0.86) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3129641 0.93 ERBB2 (1.00) ERBB2EGFRGAKRIPK2LYN
Sapitinib SCHEMBL202358 0.92 ERBB2 (1.00) ERBB2EGFRGAKRIPK2LYN
Sapitinib SCHEMBL29728247 0.92 ERBB2 (1.00) ERBB2EGFRGAKRIPK2LYN
Sapitinib SCHEMBL30362790 0.92 ERBB2 (1.00) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4885136 0.92 ERBB2 (1.00) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4883773 0.91 ERBB2 (1.00) ERBB2EGFRGAKRIPK2LYN
SCHEMBL5422908 0.91 EGFR (0.85) ERBB2EGFRGAKRIPK2LYN
Sapitinib SCHEMBL201895 0.90 ERBB2 (0.92) ERBB2EGFRGAKRIPK2LYN

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-112321566-B EGFR protein degradation agent and anti-tumor application thereof 上海科技大学 2022-06-10 CN disclosed