SCHEMBL25001837

SCHEMBL25001837

COc1cc(N2CCC(O)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.53
▸ TTK P33981 1/20 0.48

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
SCHEMBL25001947 0.95 EGFR (0.54) EGFR
SCHEMBL25001704 0.92 EGFR (0.63) EGFR
SCHEMBL25001773 0.92 EGFR (0.57) EGFR
SCHEMBL25002043 0.92 EGFR (0.51) EGFRTTK
SCHEMBL25002403 0.91 EGFR (0.50) EGFR
SCHEMBL29877082 0.91 EGFR (0.50) EGFR
SCHEMBL25001890 0.91 EGFR (0.55) EGFRTTK
SCHEMBL25002508 0.91 EGFR (0.52) EGFR
SCHEMBL25002655 0.91 EGFR (0.57) EGFR
SCHEMBL25001702 0.91 EGFR (0.51) EGFR

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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