SCHEMBL30460426

SCHEMBL30460426

COc1ccc2cnn(-c3ccnc(Nc4cc(C=CC(N)=O)c(N(C)CCN5CCCC5)cc4OC)n3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.45
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
LCK P06239 1/20 0.36
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
SCHEMBL30459808 0.95 EGFR (0.46) EGFRABL1BCRKDR
SCHEMBL30459911 0.89 EGFR (0.43) EGFRLCKSRCKDRMAPK14
SCHEMBL30459962 0.88 MAPK8 (0.46) EGFRKDR
SCHEMBL30459974 0.88 EGFR (0.44) EGFRLCKSRCKDRMAPK14
SCHEMBL30460166 0.86 EGFR (0.44) EGFRABL1BCRLCK
SCHEMBL17683217 0.85 EGFR (0.63) EGFRKDR
SCHEMBL17682933 0.81 EGFR (0.63) EGFRKDR
SCHEMBL19540904 0.81 EGFR (0.47) EGFR
SCHEMBL19210259 0.78 EGFR (0.43) EGFRABL1BCRKDR
SCHEMBL30459749 0.78 EGFR (0.43) EGFRABL1BCRKDR

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