SCHEMBL25002853

SCHEMBL25002853

COc1cc(N2CCC3(CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cc3c(cc2N(C)[S+](C)[O-])CC3)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.47
▸ BTK Q06187 1/20 0.44
▸ MAP4K1 Q92918 2/20 0.43
▸ ALK Q9UM73 4/20 0.42
▸ CDK19 Q9BWU1 1/20 0.38

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
SCHEMBL25002442 0.91 EGFR (0.54) EGFRBTKMAP4K1ALK
SCHEMBL25002690 0.90 EGFR (0.57) EGFRBTKALK
SCHEMBL25001806 0.89 EGFR (0.49) EGFRBTKMAP4K1ALK
SCHEMBL25001863 0.85 EGFR (0.52) EGFRBTKMAP4K1ALKCDK19
SCHEMBL25001656 0.84 EGFR (0.48) EGFRBTKMAP4K1ALK
SCHEMBL25001695 0.81 EGFR (0.47) EGFRBTKMAP4K1ALKCDK19
SCHEMBL25001934 0.80 EGFR (0.48) EGFRBTKMAP4K1ALK
SCHEMBL25001407 0.80 EGFR (0.54) EGFRBTKMAP4K1ALKCDK19
SCHEMBL25001385 0.80 EGFR (0.60) EGFRBTKMAP4K1ALK
SCHEMBL25821603 0.79 EGFR (0.53) EGFRBTKMAP4K1ALKCDK19

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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