SCHEMBL30459974

SCHEMBL30459974

COc1ccc2ncn(-c3ccnc(Nc4cc(C=CC(N)=O)c(N(C)CCN5CCCC5)cc4OC)n3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.44
LCK P06239 2/20 0.39
NEK2 P51955 1/20 0.38
PLK1 P53350 1/20 0.38
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL30460166 0.95 EGFR (0.44) EGFRLCK
SCHEMBL30460426 0.88 EGFR (0.45) EGFRLCKSRCKDRMAPK14
SCHEMBL30459911 0.87 EGFR (0.43) EGFRLCKSRCKDRMAPK14
SCHEMBL30459808 0.87 EGFR (0.46) EGFRKDR
SCHEMBL17683202 0.85 EGFR (0.61) EGFRKDR
SCHEMBL19540678 0.83 EGFR (0.47) EGFR
SCHEMBL30459962 0.81 MAPK8 (0.46) EGFRKDR
SCHEMBL19254491 0.80 EGFR (0.47) EGFR
SCHEMBL17683192 0.80 EGFR (0.61) EGFRKDR
SCHEMBL21980692 0.79 EGFR (0.46) EGFRKDR

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