SCHEMBL29257358

SCHEMBL29257358

CS(=O)(=O)n1ccc2cccc(Nc3nc(Nc4ccc(N5CCC(N6CCN(C(=O)C7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)C7)CC6)CC5)c(F)c4)ncc3Cl)c21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 3/20 0.48
▸ PLK4 O00444 6/20 0.47
▸ PTK2 Q05397 1/20 0.42
▸ CRBN Q96SW2 3/20 0.42
▸ HPGDS O60760 2/20 0.42
▸ EGFR P00533 7/20 0.41
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39

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
SCHEMBL29257352 1.00 ALK (0.48) ALKPLK4PTK2CRBNHPGDS
SCHEMBL29257393 1.00 ALK (0.48) ALKPLK4PTK2CRBNHPGDS
SCHEMBL29257335 0.98 ALK (0.48) ALKPLK4PTK2CRBNHPGDS
SCHEMBL24351639 0.90 ALK (0.47) ALKPLK4PTK2CRBNHPGDS
SCHEMBL24351644 0.90 ALK (0.47) ALKPLK4PTK2CRBNHPGDS
SCHEMBL27133244 0.90 ALK (0.47) ALKPLK4PTK2CRBNHPGDS
SCHEMBL29257368 0.90 ALK (0.53) ALKPLK4PTK2CRBNEGFR
SCHEMBL29257363 0.89 ALK (0.61) ALKPTK2CRBNEGFR
SCHEMBL29257357 0.89 ALK (0.61) ALKPTK2CRBNEGFR
SCHEMBL29257362 0.89 ALK (0.61) ALKPTK2CRBNEGFR

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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