SCHEMBL29208841

SCHEMBL29208841

COc1cc(C2CNCCO2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccccc2NS(=O)(=O)C2CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.54
▸ ALK Q9UM73 6/20 0.49
▸ BTK Q06187 1/20 0.45
▸ CDK19 Q9BWU1 1/20 0.44
▸ ULK1 O75385 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42

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
SCHEMBL29208829 0.89 ALK (0.61) ALK
SCHEMBL25303779 0.87 EGFR (0.58) EGFRALKBTKCDK19
SCHEMBL29208769 0.86 ULK1 (0.56) EGFRALKBTKCDK19ULK1
SCHEMBL25001487 0.83 EGFR (0.76) EGFRALKBTKCDK19ULK1
SCHEMBL25296645 0.83 EGFR (0.41) EGFRALKBTKCDK19
SCHEMBL25296774 0.82 MAP4K1 (0.51) EGFRALKBTKCDK19
SCHEMBL29208869 0.81 EGFR (0.44) EGFRBTK
SCHEMBL29208821 0.81 EGFR (0.47) EGFRALKBTK
SCHEMBL29208809 0.81 EGFR (0.53) EGFR
SCHEMBL28945455 0.79 EGFR (0.52) EGFR

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
CN-112538072-B Aminopyrimidine EGFR inhibitors 齐鲁制药有限公司 2024-02-06 — — CN disclosed
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