SCHEMBL29257368

SCHEMBL29257368

CS(=O)(=O)n1ccc2cccc(Nc3nc(Nc4ccc(N5CCC(N6CCN(CC7CN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)C7)CC6)CC5)c(F)c4)ncc3Cl)c21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 5/20 0.53
▸ PLK4 O00444 5/20 0.47
▸ CRBN Q96SW2 3/20 0.45
▸ BTK Q06187 2/20 0.45
▸ PTK2 Q05397 1/20 0.44
▸ EGFR P00533 6/20 0.43
▸ IRAK1 P51617 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ IRAK3 Q9Y616 1/20 0.40

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
SCHEMBL29257335 0.92 ALK (0.48) ALKPLK4CRBNPTK2EGFR
SCHEMBL29257358 0.90 ALK (0.48) ALKPLK4CRBNPTK2EGFR
SCHEMBL29257352 0.90 ALK (0.48) ALKPLK4CRBNPTK2EGFR
SCHEMBL29257393 0.90 ALK (0.48) ALKPLK4CRBNPTK2EGFR
SCHEMBL24352306 0.90 ALK (0.53) ALKPLK4CRBNBTKPTK2
SCHEMBL29257336 0.89 ALK (0.61) ALKCRBNPTK2EGFR
SCHEMBL24351867 0.85 ALK (0.47) ALKPLK4CRBNBTKPTK2
SCHEMBL24351643 0.84 CRBN (0.48) ALKPLK4CRBNBTKPTK2
SCHEMBL29257341 0.83 ALK (0.57) ALKPLK4CRBNBTKPTK2
SCHEMBL29257346 0.83 ALK (0.46) ALKCRBNPTK2EGFR

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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