SCHEMBL23260569

SCHEMBL23260569

CCc1cc(Nc2ncc(OC)c(Nc3ccc(C4CC4)cc3P(C)C)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.58
▸ INSR P06213 6/20 0.52
▸ IGF1R P08069 6/20 0.52
▸ ALK Q9UM73 6/20 0.52

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
SCHEMBL23259843 0.94 EGFR (0.67) EGFRINSRIGF1RALK
SCHEMBL23259938 0.91 EGFR (0.56) EGFRINSRIGF1RALK
SCHEMBL23260568 0.88 EGFR (0.64) EGFRINSRIGF1RALK
SCHEMBL24781107 0.86 EGFR (0.57) EGFR
SCHEMBL24179126 0.85 EGFR (0.68) EGFRINSRIGF1RALK
SCHEMBL25449051 0.84 EGFR (0.67) EGFRINSRIGF1RALK
SCHEMBL23154237 0.83 EGFR (0.62) EGFR
SCHEMBL23154173 0.83 EGFR (0.65) EGFRINSRIGF1RALK
SCHEMBL23154183 0.83 INSR (0.59) EGFRINSRIGF1RALK
SCHEMBL23154150 0.82 INSR (0.57) EGFRINSRIGF1RALK

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-2021073498-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF 贝达药业股份有限公司 2021-04-22 — — WO disclosed
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