SCHEMBL22246290

SCHEMBL22246290

CP(C)c1ccccc1Nc1nc(Nc2ccc(N3CCC4(CC3)CC(NCCO)C4)c(Cl)c2)ncc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.46
MAPK9 P45984 3/20 0.44
MAPK10 P53779 3/20 0.44
ALK Q9UM73 4/20 0.43
MAPK8 P45983 1/20 0.42
MAP3K7 O43318 1/20 0.42
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCNK O75909 3/20 0.41
CCND3 P30281 3/20 0.41
CDK9 P50750 3/20 0.41
CDK6 Q00534 3/20 0.41
JAK3 P52333 1/20 0.40
SLC2A1 P11166 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
SCHEMBL29396776 0.87 EGFR (0.62) EGFRALK
SCHEMBL22246231 0.87 EGFR (0.62) EGFRALK
SCHEMBL22246276 0.87 EGFR (0.49) EGFRMAPK9MAPK10ALKMAPK8
SCHEMBL22246255 0.87 EGFR (0.48) EGFRMAPK9MAPK10ALKMAPK8
SCHEMBL22246247 0.86 EGFR (0.52) EGFRMAPK9MAPK10ALKMAPK8
SCHEMBL30503703 0.82 MAPK9 (0.55) EGFRMAPK9MAPK10ALKMAPK8
SCHEMBL22246232 0.82 MAPK9 (0.55) EGFRMAPK9MAPK10ALKMAPK8
SCHEMBL30948623 0.80 EGFR (0.50) EGFRMAPK9MAPK10ALKMAPK8
SCHEMBL30503700 0.80 EGFR (0.48) EGFRMAPK9MAPK10ALKMAPK8
SCHEMBL22246225 0.80 MAPK9 (0.52) EGFRMAPK9MAPK10ALKMAPK8

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