SCHEMBL25001626

SCHEMBL25001626

COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3c(c2P(C)C)CC3)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.56
▸ BTK Q06187 1/20 0.56
▸ ULK1 O75385 3/20 0.46
▸ TTK P33981 1/20 0.46
▸ ALK Q9UM73 3/20 0.42
▸ INSR P06213 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ CDK19 Q9BWU1 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41

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
SCHEMBL25001623 0.89 EGFR (0.64) EGFRBTKJAK2MAP4K1
SCHEMBL25001983 0.88 EGFR (0.57) EGFRBTKULK1TTKALK
SCHEMBL25001890 0.87 EGFR (0.55) EGFRBTKTTK
SCHEMBL23441900 0.85 EGFR (0.59) EGFRBTKULK1TTKALK
SCHEMBL25001789 0.83 EGFR (0.69) EGFRBTKULK1ALKINSR
SCHEMBL25001951 0.82 EGFR (0.66) EGFRBTKULK1TTKALK
SCHEMBL25001534 0.82 EGFR (0.56) EGFR
SCHEMBL25820802 0.81 EGFR (0.58) EGFRBTKULK1TTK
SCHEMBL22951336 0.81 EGFR (0.50) EGFRBTKULK1ALKINSR
SCHEMBL25001947 0.81 EGFR (0.54) 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
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 — — EP disclosed
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