SCHEMBL31155466

SCHEMBL31155466

CCOc1cc(N2CCC(N3CCNCC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cnc(-c3ccccc3)cc2P(C)(C)=O)n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.57
▸ BTK Q06187 1/20 0.51
▸ INSR P06213 2/20 0.46
▸ IGF1R P08069 2/20 0.46
▸ ALK Q9UM73 2/20 0.46

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
SCHEMBL31155382 0.95 EGFR (0.63) EGFRBTKINSRIGF1RALK
SCHEMBL31155604 0.94 EGFR (0.57) EGFRBTKINSRIGF1RALK
SCHEMBL31155520 0.90 EGFR (0.55) EGFRBTKINSRIGF1RALK
Hydrochloric Acid SCHEMBL31155442 0.87 EGFR (0.54) EGFRBTK
Hydrochloric Acid SCHEMBL31155471 0.86 EGFR (0.58) EGFRBTKINSRIGF1RALK
SCHEMBL31155590 0.86 EGFR (0.67) EGFRBTKINSRIGF1RALK
SCHEMBL31155359 0.84 EGFR (0.66) EGFRBTKINSRIGF1RALK
SCHEMBL31155376 0.83 EGFR (0.64) EGFRBTKINSRIGF1RALK
Hydrochloric Acid SCHEMBL31155447 0.83 EGFR (0.56) EGFRBTKINSRIGF1RALK
SCHEMBL31155381 0.83 EGFR (0.55) EGFRBTK

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-2024217481-A1 EGFR DEGRADING AGENT, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海齐鲁制药研究中心有限公司 2024-10-24 — — WO disclosed
Send feedback