SCHEMBL4456684

SCHEMBL4456684

CCS(=O)(=O)Nc1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1OC

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.88
RAF1 P04049 2/20 0.88
LYN P07948 2/20 0.88
MAPK9 P45984 2/20 0.88
EGFR P00533 1/20 0.88
BRAF P15056 1/20 0.88
EPHA2 P29317 1/20 0.88
EPHA3 P29320 1/20 0.88
AKT1 P31749 1/20 0.88
MAPK14 Q16539 10/20 0.73
SRC P12931 7/20 0.58
GSK3A P49840 8/20 0.51
SCARB1 Q8WTV0 4/20 0.51
SYK P43405 5/20 0.49
CYP3A4 P08684 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL4092237 0.94 ABL1 (1.00) ABL1RAF1LYNMAPK9EGFR
SCHEMBL4453255 0.93 ABL1 (0.83) ABL1RAF1LYNMAPK9EGFR
SCHEMBL6613542 0.93 ABL1 (0.83) ABL1RAF1LYNMAPK9EGFR
SCHEMBL6609355 0.92 ABL1 (0.81) ABL1RAF1LYNMAPK9EGFR
SCHEMBL4082365 0.92 ABL1 (0.86) ABL1RAF1LYNMAPK9EGFR
SCHEMBL6613374 0.91 ABL1 (0.82) ABL1RAF1LYNMAPK9EGFR
SCHEMBL4091842 0.91 ABL1 (0.82) ABL1RAF1LYNMAPK9EGFR
SCHEMBL4086488 0.91 ABL1 (0.82) ABL1RAF1LYNMAPK9EGFR
SCHEMBL4091655 0.91 ABL1 (0.84) ABL1RAF1LYNMAPK9EGFR
SCHEMBL6609488 0.91 ABL1 (0.84) ABL1RAF1LYNMAPK9EGFR

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
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed