SCHEMBL30776705

SCHEMBL30776705

COC(=O)c1cc(Nc2ncc(Br)c(Nc3ccc(O)cc3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.55
▸ ALK Q9UM73 3/20 0.49
▸ INSR P06213 2/20 0.48
▸ IGF1R P08069 2/20 0.48
▸ PLK1 P53350 1/20 0.48

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
SCHEMBL27040081 1.00 EGFR (0.55) EGFRALKINSRIGF1RPLK1
SCHEMBL31005796 0.87 EGFR (0.54) EGFRALKPLK1
SCHEMBL30776714 0.87 EGFR (0.53) EGFRALKPLK1
SCHEMBL30776710 0.86 EGFR (0.52) EGFRALKPLK1
SCHEMBL30776702 0.82 EGFR (0.53) EGFRALKPLK1
SCHEMBL31005792 0.82 EGFR (0.54) EGFRALKPLK1
SCHEMBL27039977 0.82 EGFR (0.53) EGFRALKPLK1
SCHEMBL30776682 0.81 ALK (0.49) EGFRALKIGF1RPLK1
SCHEMBL27040032 0.81 ALK (0.49) EGFRALKIGF1RPLK1
SCHEMBL24818154 0.81 ALK (0.69) EGFRALKINSRIGF1RPLK1

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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