SCHEMBL25002391

SCHEMBL25002391

CN/C=C(\C=N)c1cc(Nc2ncc(Br)c(Nc3cc4c(cc3P(C)(C)=O)CC4)n2)c(OC)cc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 3/20 0.48
▸ EGFR P00533 8/20 0.46
▸ LRRK2 Q5S007 5/20 0.45
▸ BTK Q06187 1/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ ALK Q9UM73 2/20 0.44
▸ INSR P06213 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ MAP4K1 Q92918 2/20 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
SCHEMBL25001804 0.90 EGFR (0.41) ULK1EGFRBTKJAK2MAP4K1
SCHEMBL25002848 0.85 EGFR (0.54) ULK1EGFR
SCHEMBL25001809 0.84 EGFR (0.52) ULK1EGFR
SCHEMBL25002048 0.80 EGFR (0.67) EGFR
SCHEMBL25001789 0.80 EGFR (0.69) ULK1EGFRBTKALKINSR
SCHEMBL25001851 0.79 EGFR (0.40) ULK1EGFRLRRK2JAK2ALK
SCHEMBL25002992 0.78 EGFR (0.44) ULK1EGFRLRRK2ALKMAP4K1
SCHEMBL25002500 0.78 EGFR (0.46) ULK1EGFRLRRK2JAK2
SCHEMBL25001861 0.78 ALK (0.55) EGFRBTKALKINSRIGF1R
SCHEMBL24179098 0.75 EGFR (0.62) EGFRBTKJAK2ALKINSR

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
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 — — EP disclosed
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