SCHEMBL29559850

SCHEMBL29559850

CCc1cc(Nc2ncc(Cl)c(Nc3ccc(C)c(C)c3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCCCC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.66
▸ INSR P06213 5/20 0.61
▸ IGF1R P08069 5/20 0.61
▸ ALK Q9UM73 5/20 0.61

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
SCHEMBL22942870 1.00 EGFR (0.66) EGFRINSRIGF1RALK
SCHEMBL22942225 0.99 EGFR (0.67) EGFRINSRIGF1RALK
SCHEMBL22942144 0.94 INSR (0.69) EGFRINSRIGF1RALK
SCHEMBL24816789 0.93 EGFR (0.65) EGFRINSRIGF1RALK
SCHEMBL30105864 0.92 EGFR (0.69) EGFRINSRIGF1RALK
SCHEMBL24940076 0.92 EGFR (0.69) EGFRINSRIGF1RALK
SCHEMBL22942135 0.92 EGFR (0.72) EGFR
SCHEMBL24940083 0.91 EGFR (0.68) EGFRINSRIGF1RALK
SCHEMBL30105877 0.91 EGFR (0.68) EGFRINSRIGF1RALK
SCHEMBL22942153 0.91 EGFR (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114430740-A EGFR inhibitor, composition and preparation method thereof 贝达药业股份有限公司 2022-05-03 — — CN claimed
CN-114430740-B EGFR inhibitors, compositions and methods of making the same 贝达药业股份有限公司 2023-12-29 — — CN disclosed
CN-114430740-A EGFR inhibitor, composition and preparation method thereof 贝达药业股份有限公司 2022-05-03 — — CN disclosed
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