SCHEMBL28535528

SCHEMBL28535528

COc1cc(N2CCC(N3CCOCC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3ncccc3c2P(C)(C)=O)n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.61
▸ BTK Q06187 1/20 0.58

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
SCHEMBL25001948 0.94 EGFR (0.64) EGFRBTK
SCHEMBL23421131 0.93 EGFR (0.61) EGFRBTK
SCHEMBL25821590 0.93 EGFR (0.56) EGFR
SCHEMBL23441985 0.92 EGFR (0.71) EGFR
SCHEMBL23442894 0.92 EGFR (0.62) EGFRBTK
SCHEMBL23759756 0.91 EGFR (0.58) EGFRBTK
SCHEMBL23420836 0.91 EGFR (0.68) EGFR
SCHEMBL23441988 0.90 EGFR (0.52) EGFRBTK
SCHEMBL25002438 0.89 EGFR (0.56) EGFR
SCHEMBL23420454 0.88 EGFR (0.67) 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
Send feedback