SCHEMBL25001952

SCHEMBL25001952

CCOc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccccc2NS(C)(=O)=O)n1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.73
▸ BTK Q06187 1/20 0.56
▸ LRRK2 Q5S007 2/20 0.49
▸ GSK3A P49840 1/20 0.49
▸ MAPK15 Q8TD08 1/20 0.49
▸ CAMKK2 Q96RR4 1/20 0.49
▸ ULK1 O75385 2/20 0.46
▸ ALK Q9UM73 1/20 0.44
▸ TTK P33981 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
SCHEMBL25001489 0.93 EGFR (0.84) EGFRBTKLRRK2GSK3AMAPK15
SCHEMBL25001487 0.88 EGFR (0.76) EGFRBTKLRRK2GSK3AMAPK15
SCHEMBL27091391 0.88 EGFR (0.75) EGFRBTKLRRK2GSK3AMAPK15
SCHEMBL27091454 0.87 EGFR (0.74) EGFRBTKLRRK2GSK3AMAPK15
SCHEMBL23304015 0.85 EGFR (1.00) EGFRBTKLRRK2GSK3AMAPK15
SCHEMBL25001554 0.84 EGFR (0.68) EGFRBTKLRRK2ALK
SCHEMBL30748473 0.83 EGFR (0.68) EGFRBTKULK1ALKTTK
SCHEMBL25001760 0.83 EGFR (0.68) EGFRBTKULK1ALKTTK
SCHEMBL12780221 0.83 EGFR (0.71) EGFRLRRK2GSK3AMAPK15CAMKK2
SCHEMBL30140980 0.82 EGFR (0.66) EGFRBTKLRRK2ULK1ALK

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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