SCHEMBL5497982

SCHEMBL5497982

COc1c(NS(C)(=O)=O)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(C(=O)Oc2ccc(OCCN3CCOCC3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
SCARB1 Q8WTV0 4/20 0.52
BRAF P15056 2/20 0.45
SRC P12931 8/20 0.45
GSK3A P49840 8/20 0.45
SYK P43405 7/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
RAF1 P04049 1/20 0.45
LYN P07948 1/20 0.45
EPHA2 P29317 1/20 0.45
EPHA3 P29320 1/20 0.45
AKT1 P31749 1/20 0.45
MAPK9 P45984 1/20 0.45
CYP3A4 P08684 1/20 0.43
LCK P06239 1/20 0.43
NR3C1 P04150 1/20 0.43

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
SCHEMBL5494587 0.86 MAPK14 (0.42) MAPK14BRAFSRCGSK3ASYK
SCHEMBL14534690 0.83 NR3C1 (0.52) MAPK14BRAFABL1RAF1MAPK9
SCHEMBL14534668 0.82 NR3C1 (0.47) MAPK14SCARB1SRCGSK3ASYK
SCHEMBL5489718 0.82 NR3C1 (0.51) MAPK14BRAFABL1RAF1MAPK9
SCHEMBL4416963 0.79 MAPK14 (0.44) MAPK14BRAFSRCGSK3ASYK
SCHEMBL4417851 0.75 MAPK14 (0.44) MAPK14SCARB1SRCGSK3ASYK
SCHEMBL4419919 0.75 SMN1; SMN2 (0.45) MAPK14SCARB1BRAF
SCHEMBL4416273 0.74 MAPK14 (0.41) MAPK14SCARB1SRCGSK3ASYK
SCHEMBL5490019 0.74 RAB9A (0.42) MAPK14GSK3A
SCHEMBL4417785 0.74 MAPK14 (0.43) MAPK14BRAFGSK3ALYNMAPK9

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed