SCHEMBL28466941

SCHEMBL28466941

Cc1cccc(Nc2ncc(-c3cncc(N[C@H]4CCN(C(=O)OC(C)(C)C)C4)c3)cn2)n1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.76
BTK Q06187 11/20 0.76
USP30 Q70CQ3 3/20 0.50
IGF1R P08069 1/20 0.44
PIK3CD O00329 1/20 0.43
RIPK2 O43353 1/20 0.43

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
SCHEMBL30091817 1.00 EGFR (0.76) EGFRBTKUSP30IGF1RPIK3CD
SCHEMBL22400925 0.95 EGFR (0.75) EGFRBTKUSP30RIPK2
SCHEMBL22400982 0.88 EGFR (0.83) EGFRBTK
SCHEMBL30091818 0.86 EGFR (1.00) EGFRBTK
SCHEMBL22400922 0.86 EGFR (1.00) EGFRBTK
SCHEMBL22405025 0.85 BTK (0.76) EGFRBTKUSP30RIPK2
SCHEMBL22431577 0.85 EGFR (0.74) EGFRBTKUSP30IGF1R
SCHEMBL22405035 0.84 BTK (0.73) EGFRBTKUSP30RIPK2
SCHEMBL22400898 0.83 EGFR (1.00) EGFRBTK
SCHEMBL30313820 0.83 EGFR (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278818-B BTK inhibitor compounds 伊莱利利公司 2023-03-28 CN disclosed
CN-111278818-A BTK inhibitor compounds 伊莱利利公司 2020-06-12 CN disclosed