SCHEMBL28368546

SCHEMBL28368546

COc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(=O)(=O)NC(=O)C(C)(C)C)n1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.69
▸ MET P08581 1/20 0.59
▸ ALK Q9UM73 6/20 0.58
▸ INSR P06213 1/20 0.55
▸ IGF1R P08069 1/20 0.55

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
SCHEMBL21847026 0.94 EGFR (0.70) EGFRMETALKINSRIGF1R
SCHEMBL28364756 0.92 EGFR (0.59) EGFRMETALK
SCHEMBL28364747 0.89 EGFR (0.75) EGFRALK
SCHEMBL21847007 0.87 EGFR (0.65) EGFRMETALKINSRIGF1R
SCHEMBL21847019 0.86 EGFR (0.60) EGFRMETALK
SCHEMBL29832835 0.86 EGFR (0.60) EGFRMETALK
SCHEMBL21846973 0.84 EGFR (0.62) EGFRMETALKINSRIGF1R
SCHEMBL21847018 0.83 EGFR (0.76) EGFRALK
SCHEMBL21846983 0.82 EGFR (1.00) EGFRMET
SCHEMBL28364828 0.82 EGFR (0.64) EGFRMETALKIGF1R

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-110740999-A N2, N4-diphenylpyrimidine-2, 4-diamine derivative, process for producing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2020-01-31 — — CN disclosed
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