SCHEMBL23154262

SCHEMBL23154262

CCc1cc(Nc2ncc(Br)c(Nc3ccc(-c4ccc(C)cn4)cc3P(C)C)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.62
▸ INSR P06213 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ ALK Q9UM73 1/20 0.47

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
SCHEMBL23154028 0.93 EGFR (0.63) EGFRINSRIGF1RALK
SCHEMBL24179126 0.92 EGFR (0.68) EGFRINSRIGF1RALK
SCHEMBL23154353 0.91 EGFR (0.62) EGFRINSRIGF1RALK
SCHEMBL23154286 0.91 EGFR (0.64) EGFR
SCHEMBL23154237 0.91 EGFR (0.62) EGFR
SCHEMBL23154042 0.91 EGFR (0.62) EGFRINSRIGF1RALK
SCHEMBL23153737 0.91 EGFR (0.62) EGFR
SCHEMBL23154048 0.91 EGFR (0.65) EGFRINSRIGF1RALK
SCHEMBL23154222 0.90 EGFR (0.62) EGFR
SCHEMBL24755199 0.90 EGFR (0.62) 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-2021057882-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR 贝达药业股份有限公司 2021-04-01 — — WO disclosed
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