SCHEMBL25001695

SCHEMBL25001695

COc1cc(N2CCC3(CC2)COCCN3C)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cc3c(cc2N(C)SC)CC3)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.47
▸ BTK Q06187 1/20 0.47
▸ MAP4K1 Q92918 1/20 0.39
▸ CDK19 Q9BWU1 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ ULK1 O75385 1/20 0.38
▸ TTK P33981 1/20 0.37

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
SCHEMBL25001697 0.91 EGFR (0.52) EGFRBTKMAP4K1ALKULK1
SCHEMBL25002442 0.83 EGFR (0.54) EGFRBTKMAP4K1ALKULK1
SCHEMBL25001385 0.82 EGFR (0.60) EGFRBTKMAP4K1ALKULK1
SCHEMBL25002853 0.81 EGFR (0.47) EGFRBTKMAP4K1CDK19ALK
SCHEMBL25001806 0.80 EGFR (0.49) EGFRBTKMAP4K1ALK
SCHEMBL25001983 0.79 EGFR (0.57) EGFRBTKMAP4K1CDK19ALK
SCHEMBL25001789 0.79 EGFR (0.69) EGFRBTKMAP4K1ALKULK1
SCHEMBL25001934 0.79 EGFR (0.48) EGFRBTKMAP4K1ALKULK1
SCHEMBL25001656 0.77 EGFR (0.48) EGFRBTKMAP4K1ALKULK1
SCHEMBL30176224 0.76 EGFR (0.57) EGFRBTKMAP4K1ALKULK1

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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