SCHEMBL4944592

SCHEMBL4944592

COc1c(NC(=O)C(=O)c2ccc(Nc3ccnc(N4CCN(C)CC4)n3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.74
SCARB1 Q8WTV0 7/20 0.57
SRC P12931 6/20 0.51
GSK3A P49840 6/20 0.51
SYK P43405 5/20 0.51

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
SCHEMBL4565276 0.94 MAPK14 (0.76) MAPK14SCARB1SRCGSK3ASYK
SCHEMBL1599582 0.93 MAPK14 (0.77) MAPK14SCARB1SRCGSK3ASYK
SCHEMBL4958233 0.89 MAPK14 (0.72) MAPK14SCARB1SRCGSK3ASYK
SCHEMBL4950811 0.89 MAPK14 (0.72) MAPK14SCARB1SRCGSK3ASYK
SCHEMBL4946391 0.88 MAPK14 (0.70) MAPK14SCARB1
SCHEMBL4964930 0.88 MAPK14 (0.70) MAPK14SCARB1SRCGSK3ASYK
SCHEMBL4955134 0.88 MAPK14 (0.68) MAPK14SCARB1SRCGSK3ASYK
SCHEMBL4949171 0.86 MAPK14 (0.64) MAPK14SCARB1SRCGSK3ASYK
SCHEMBL4419926 0.86 MAPK14 (0.83) MAPK14SCARB1SRCGSK3ASYK
SCHEMBL4957825 0.85 MAPK14 (0.62) MAPK14SCARB1GSK3A

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-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed