SCHEMBL30948623

SCHEMBL30948623

CN(C)C1CC2(CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)C)n4)cc3N)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.50
ALK Q9UM73 6/20 0.48
MAPK9 P45984 3/20 0.44
MAPK10 P53779 3/20 0.44
AXL P30530 1/20 0.43
MAPK8 P45983 1/20 0.43
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
SLC2A1 P11166 1/20 0.41
CCNK O75909 2/20 0.41
CCND3 P30281 2/20 0.41
CDK9 P50750 2/20 0.41
CDK6 Q00534 2/20 0.41

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
SCHEMBL22246247 0.94 EGFR (0.52) EGFRALKMAPK9MAPK10AXL
SCHEMBL30948584 0.93 EGFR (0.53) EGFRALKMAPK9MAPK10AXL
SCHEMBL30948583 0.93 EGFR (0.53) EGFRALKMAPK9MAPK10AXL
SCHEMBL30948582 0.88 EGFR (0.50) EGFRALKMAPK9MAPK10AXL
SCHEMBL30948600 0.88 EGFR (0.49) EGFRALKMAPK9MAPK10MAPK8
SCHEMBL22520123 0.87 EGFR (0.60) EGFRALK
SCHEMBL22246276 0.86 EGFR (0.49) EGFRALKMAPK9MAPK10MAPK8
SCHEMBL30948622 0.84 EGFR (0.59) EGFRALKAXLCCNA2CDK2
SCHEMBL22246232 0.84 MAPK9 (0.55) EGFRALKMAPK9MAPK10MAPK8
SCHEMBL30503703 0.84 MAPK9 (0.55) EGFRALKMAPK9MAPK10AXL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113677680-B EGFR inhibitor, composition and application thereof 贝达药业股份有限公司 2024-05-10 CN disclosed