SCHEMBL29257330

SCHEMBL29257330

CS(=O)(=O)n1ccc2cccc(Nc3nc(Nc4ccc(N5CCC(N6CCN(CCc7ccc(C8CCC(=O)NC8=O)cc7)CC6)CC5)c(F)c4)ncc3Cl)c21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.44
▸ INSR P06213 2/20 0.40
▸ IGF1R P08069 2/20 0.40
▸ ALK Q9UM73 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ CRBN Q96SW2 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
SCHEMBL24352065 0.89 EGFR (0.45) EGFRINSRIGF1RALKBRD4
SCHEMBL24206738 0.84 EGFR (0.52) EGFRINSRALKBRD4MAPK9
SCHEMBL27031685 0.82 EGFR (0.45) EGFRINSRIGF1RALKBRD4
SCHEMBL29257368 0.82 ALK (0.53) EGFRALKCRBN
SCHEMBL29257329 0.82 EGFR (0.42) EGFRINSRIGF1RALKBRD4
SCHEMBL29257351 0.81 EGFR (0.57) EGFRINSRIGF1RALKMAPK9
SCHEMBL29257364 0.80 EGFR (0.56) EGFRINSRIGF1RALKMAPK9
SCHEMBL29257383 0.79 EGFR (0.42) EGFRINSRIGF1RALKBRD4
SCHEMBL29257335 0.79 ALK (0.48) EGFRALKMAPK9MAPK10CRBN
SCHEMBL24351539 0.78 EGFR (0.55) EGFRIGF1RALKBRD4CRBN

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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