SCHEMBL22246247

SCHEMBL22246247

CN(C)C1CC2(CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)C)n4)cc3Cl)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.52
ALK Q9UM73 6/20 0.50
AXL P30530 2/20 0.45
MAPK9 P45984 3/20 0.45
MAPK10 P53779 3/20 0.45
CCNA2 P20248 3/20 0.43
CDK2 P24941 3/20 0.43
MAPK8 P45983 1/20 0.43
CCNK O75909 2/20 0.43
CCND3 P30281 2/20 0.43
CDK9 P50750 2/20 0.43
CDK6 Q00534 2/20 0.43
NEK2 P51955 1/20 0.42

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
SCHEMBL30948623 0.94 EGFR (0.50) EGFRALKAXLMAPK9MAPK10
SCHEMBL22246276 0.90 EGFR (0.49) EGFRALKMAPK9MAPK10CCNA2
SCHEMBL30948583 0.87 EGFR (0.53) EGFRALKAXLMAPK9MAPK10
SCHEMBL30948584 0.87 EGFR (0.53) EGFRALKAXLMAPK9MAPK10
SCHEMBL22246255 0.87 EGFR (0.48) EGFRALKMAPK9MAPK10CCNA2
SCHEMBL22246151 0.86 EGFR (0.66) EGFRALK
SCHEMBL29396779 0.86 EGFR (0.66) EGFRALK
SCHEMBL22246290 0.86 EGFR (0.46) EGFRALKMAPK9MAPK10CCNA2
SCHEMBL22246232 0.85 MAPK9 (0.55) EGFRALKMAPK9MAPK10CCNA2
SCHEMBL30503703 0.85 MAPK9 (0.55) EGFRALKAXLMAPK9MAPK10

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
WO-2020147702-A1 EGFR INHIBITORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-07-23 WO disclosed