SCHEMBL4408299

SCHEMBL4408299

COc1c(NS(C)(=O)=O)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(C(=O)Nc2ccc(OCc3ccnc4ccccc34)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.42
SRC P12931 12/20 0.42
SYK P43405 12/20 0.42
GSK3A P49840 11/20 0.42
LCK P06239 2/20 0.42
CYP3A4 P08684 1/20 0.40
SCARB1 Q8WTV0 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
SCHEMBL4416273 0.87 MAPK14 (0.41) MAPK14SRCSYKGSK3ALCK
SCHEMBL4411102 0.86 MAPK14 (0.42) MAPK14GSK3A
SCHEMBL4417851 0.86 MAPK14 (0.44) MAPK14SRCSYKGSK3ALCK
SCHEMBL5490019 0.85 RAB9A (0.42) MAPK14GSK3A
SCHEMBL4416963 0.85 MAPK14 (0.44) MAPK14SRCSYKGSK3ALCK
SCHEMBL4417785 0.80 MAPK14 (0.43) MAPK14GSK3A
SCHEMBL4419919 0.80 SMN1; SMN2 (0.45) MAPK14SCARB1
SCHEMBL4412446 0.79 KDR (0.41)
SCHEMBL5494587 0.78 MAPK14 (0.42) MAPK14SRCSYKGSK3ACYP3A4
SCHEMBL4417658 0.78 MAPT (0.42) MAPK14SRCSYKGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed