SCHEMBL25001715

SCHEMBL25001715

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccccc2N(C)[S+]([O-])C2CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.61
▸ MET P08581 1/20 0.48
▸ BTK Q06187 1/20 0.47
▸ INSR P06213 4/20 0.47
▸ IGF1R P08069 4/20 0.47
▸ ALK Q9UM73 4/20 0.47
▸ PLK1 P53350 1/20 0.45

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
SCHEMBL25001863 0.91 EGFR (0.52) EGFRBTKALK
SCHEMBL29084096 0.88 EGFR (0.71) EGFRMETBTKINSRIGF1R
SCHEMBL25001347 0.87 EGFR (0.63) EGFRMETBTKINSRIGF1R
SCHEMBL25002690 0.86 EGFR (0.57) EGFRBTKINSRIGF1RALK
SCHEMBL29974926 0.84 EGFR (0.65) EGFRBTKINSRIGF1RALK
SCHEMBL29084036 0.84 EGFR (0.65) EGFRMETBTKINSRIGF1R
SCHEMBL29084045 0.84 EGFR (0.67) EGFRBTKINSRIGF1RALK
SCHEMBL27091519 0.84 EGFR (0.67) EGFRBTKINSRIGF1RALK
SCHEMBL29084069 0.83 EGFR (0.64) EGFRBTKINSRIGF1RALK
SCHEMBL23442003 0.82 EGFR (0.61) EGFRBTKINSRIGF1RALK

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
Send feedback