SCHEMBL25001983

SCHEMBL25001983

COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cc3c(cc2P(C)C)CC3)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.57
▸ BTK Q06187 1/20 0.57
▸ ULK1 O75385 3/20 0.44
▸ TTK P33981 1/20 0.44
▸ MAP4K1 Q92918 1/20 0.44
▸ ALK Q9UM73 3/20 0.43
▸ INSR P06213 2/20 0.43
▸ CDK19 Q9BWU1 1/20 0.41
▸ LRRK2 Q5S007 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
SCHEMBL25002034 0.89 EGFR (0.46) EGFRBTKTTKMAP4K1ALK
SCHEMBL25002404 0.89 EGFR (0.49) EGFRBTKTTKMAP4K1ALK
SCHEMBL25001789 0.88 EGFR (0.69) EGFRBTKULK1MAP4K1ALK
SCHEMBL25001626 0.88 EGFR (0.56) EGFRBTKULK1TTKMAP4K1
SCHEMBL25002442 0.86 EGFR (0.54) EGFRBTKULK1TTKMAP4K1
SCHEMBL25001385 0.85 EGFR (0.60) EGFRBTKULK1TTKMAP4K1
SCHEMBL30176224 0.84 EGFR (0.57) EGFRBTKULK1TTKMAP4K1
SCHEMBL23441900 0.83 EGFR (0.59) EGFRBTKULK1TTKMAP4K1
SCHEMBL25001951 0.83 EGFR (0.66) EGFRBTKULK1TTKMAP4K1
SCHEMBL25001623 0.83 EGFR (0.64) EGFRBTKMAP4K1

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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