SCHEMBL28531940

SCHEMBL28531940

COc1cc(N2CCCN(C)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2C(=O)OP(C)(C)=O)n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.56
▸ 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
SCHEMBL25001580 0.90 EGFR (0.68) EGFR
Formic Acid SCHEMBL28531942 0.88 EGFR (0.66) EGFR
SCHEMBL28540132 0.88 EGFR (0.60) EGFR
SCHEMBL25001901 0.87 EGFR (0.70) EGFR
SCHEMBL25001584 0.85 EGFR (0.54) EGFRBTK
SCHEMBL25001395 0.85 EGFR (0.67) EGFR
SCHEMBL23442667 0.83 EGFR (0.79) EGFR
SCHEMBL28540075 0.83 EGFR (0.48) EGFR
SCHEMBL25001609 0.83 EGFR (0.72) EGFR
SCHEMBL28532752 0.83 EGFR (0.61) 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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