SCHEMBL29257331

SCHEMBL29257331

COc1cc(N2CCCCC2)c(C)cc1N(c1ncc(Br)c(N)n1)c1cccc2c1N(S(C)(=O)=O)CC2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ CDC25C P30307 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ HTR1B P28222 1/20 0.30
▸ GHSR Q92847 1/20 0.30

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
SCHEMBL29015756 0.73 EGFR (0.44) —
SCHEMBL29509069 0.72 EGFR (0.35) —
SCHEMBL29015712 0.69 EGFR (0.49) —
SCHEMBL29015716 0.69 ALK (0.39) —
SCHEMBL29974928 0.67 EGFR (0.42) —
SCHEMBL29084071 0.67 EGFR (0.42) —
SCHEMBL29083957 0.67 EGFR (0.41) —
SCHEMBL29975295 0.67 EGFR (0.41) —
SCHEMBL24327368 0.66 EGFR (0.59) —
SCHEMBL24328401 0.65 EGFR (0.47) —

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-116745280-A Bifunctional compounds for degrading EGFR and related methods of use 百济神州有限公司 2023-09-12 — — CN disclosed
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