SCHEMBL30459745

SCHEMBL30459745

COc1ccc2c(c1)ncn2-c1ccnc(Nc2cc([N+](=O)[O-])c(N(C)CCN(C)C)cc2OC)n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.48
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL17683125 1.00 EGFR (0.48) EGFRMKNK1MKNK2
SCHEMBL17683127 0.87 EGFR (0.47) EGFRMKNK1MKNK2
SCHEMBL30459810 0.87 EGFR (0.47) EGFRMKNK1MKNK2
SCHEMBL29464136 0.85 EGFR (0.48) EGFR
SCHEMBL17683128 0.85 LCK (0.40) EGFRMKNK1MKNK2
SCHEMBL30459789 0.85 LCK (0.40) EGFRMKNK1MKNK2
SCHEMBL17683143 0.85 EGFR (0.53) EGFR
SCHEMBL19100929 0.83 EGFR (0.54) EGFR
SCHEMBL19254875 0.83 EGFR (0.47) EGFRMKNK1MKNK2
SCHEMBL17682978 0.82 EGFR (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402143-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2024-01-16 CN disclosed
CN-117069700-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-11-17 CN disclosed
CN-111187221-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-26 CN disclosed
CN-111171000-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-01 CN disclosed
CN-111170999-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-06-30 CN disclosed