SCHEMBL30776714

SCHEMBL30776714

COC(=O)c1cc(Nc2ncc(Br)c(Nc3ccc(O)cc3N(C)S(C)(=O)=O)n2)c(OC)cc1N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.53
▸ MET P08581 1/20 0.48
▸ PLK1 P53350 2/20 0.48
▸ LRRK2 Q5S007 1/20 0.44
▸ ALK Q9UM73 6/20 0.44

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
SCHEMBL30776702 0.95 EGFR (0.53) EGFRMETPLK1LRRK2ALK
SCHEMBL27039977 0.95 EGFR (0.53) EGFRMETPLK1LRRK2ALK
SCHEMBL30776682 0.94 ALK (0.49) EGFRMETPLK1ALK
SCHEMBL27040032 0.94 ALK (0.49) EGFRMETPLK1ALK
SCHEMBL30776710 0.93 EGFR (0.52) EGFRPLK1LRRK2ALK
SCHEMBL30776689 0.90 EGFR (0.46) EGFRMETPLK1LRRK2ALK
SCHEMBL31005794 0.90 EGFR (0.52) EGFRMETPLK1ALK
SCHEMBL30958182 0.89 EGFR (0.50) EGFRMETPLK1LRRK2ALK
SCHEMBL31005796 0.88 EGFR (0.54) EGFRPLK1LRRK2ALK
SCHEMBL30776705 0.87 EGFR (0.55) EGFRPLK1ALK

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
WO-2024017251-A1 MACROCYCLE FOR INHIBITING AND INDUCING EGFR DEGRADATION AND PREPARATION METHOD FOR AND USE OF MACROCYCLE 江苏恒瑞医药股份有限公司 2024-01-25 — — WO disclosed
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