SCHEMBL29257336

SCHEMBL29257336

COc1cc(N2CCC(N3CCN(CC4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc3ccn(S(C)(=O)=O)c23)n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 6/20 0.61
▸ EGFR P00533 5/20 0.54
▸ CRBN Q96SW2 1/20 0.54
▸ PTK2 Q05397 9/20 0.54
▸ INSR P06213 1/20 0.52
▸ IGF1R P08069 1/20 0.52

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
SCHEMBL29257343 0.94 ALK (0.62) ALKEGFRCRBNPTK2INSR
SCHEMBL29257391 0.92 ALK (0.62) ALKEGFRCRBNPTK2INSR
SCHEMBL27031725 0.90 ALK (0.61) ALKEGFRCRBNPTK2INSR
SCHEMBL29257362 0.89 ALK (0.61) ALKEGFRCRBNPTK2INSR
SCHEMBL29257357 0.89 ALK (0.61) ALKEGFRCRBNPTK2INSR
SCHEMBL29257363 0.89 ALK (0.61) ALKEGFRCRBNPTK2INSR
SCHEMBL29257368 0.89 ALK (0.53) ALKEGFRCRBNPTK2
SCHEMBL25261949 0.89 EGFR (0.65) ALKEGFRCRBNPTK2INSR
SCHEMBL29257341 0.88 ALK (0.57) ALKEGFRCRBNPTK2INSR
SCHEMBL24351281 0.88 ALK (0.60) ALKEGFRCRBNPTK2INSR

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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