SCHEMBL30459810

SCHEMBL30459810

COc1ccc2c(c1)ncn2-c1ccnc(Nc2cc(N)c(N(C)CCN(C)C)cc2OC)n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.47
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
ROCK1 Q13464 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
SCHEMBL17683127 1.00 EGFR (0.47) EGFRMKNK1MKNK2ROCK1
SCHEMBL29464106 0.88 ROCK1 (0.55) EGFRROCK1
SCHEMBL30459745 0.87 EGFR (0.48) EGFRMKNK1MKNK2
SCHEMBL17683125 0.87 EGFR (0.48) EGFRMKNK1MKNK2
SCHEMBL19540862 0.85 EGFR (0.53) EGFR
SCHEMBL29464134 0.84 EGFR (0.48) EGFR
SCHEMBL17682978 0.84 EGFR (0.69) EGFR
SCHEMBL30459799 0.84 KDR (0.46) EGFR
SCHEMBL29464102 0.84 EGFR (0.47) EGFR
SCHEMBL17683146 0.84 KDR (0.46) 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