SCHEMBL28533956

SCHEMBL28533956

COc1cc(N2CCOCC2)c(-c2cncnc2)cc1Nc1ncc(C)c(Nc2ccc3nccnc3c2C(=O)OP(C)(C)=O)n1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.48
▸ BTK Q06187 1/20 0.47

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
SCHEMBL30748504 0.88 EGFR (0.52) EGFRBTK
SCHEMBL29208870 0.88 EGFR (0.52) EGFRBTK
SCHEMBL25001387 0.88 EGFR (0.59) EGFRBTK
SCHEMBL25001815 0.84 EGFR (0.46) EGFRBTK
SCHEMBL25001608 0.81 EGFR (0.64) EGFRBTK
SCHEMBL25002390 0.81 EGFR (0.64) EGFR
SCHEMBL25820549 0.81 EGFR (0.64) EGFRBTK
SCHEMBL29208873 0.78 EGFR (0.44) EGFRBTK
SCHEMBL28531940 0.77 EGFR (0.56) EGFRBTK
SCHEMBL25002703 0.76 EGFR (0.56) EGFRBTK

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
CN-112538072-A Novel aminopyrimidine EGFR (epidermal growth factor receptor) inhibitor 齐鲁制药有限公司 2021-03-23 — — CN disclosed
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