SCHEMBL4419926

SCHEMBL4419926

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

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.83
SCARB1 Q8WTV0 8/20 0.60
GSK3A P49840 3/20 0.52
SRC P12931 2/20 0.52
SYK P43405 2/20 0.52
LCK P06239 1/20 0.52

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
SCHEMBL1600941 0.91 MAPK14 (1.00) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL1598842 0.91 MAPK14 (0.81) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL5312205 0.88 MAPK14 (1.00) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4565276 0.88 MAPK14 (0.76) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4944592 0.86 MAPK14 (0.74) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL1599582 0.86 MAPK14 (0.77) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4950811 0.85 MAPK14 (0.72) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4958233 0.85 MAPK14 (0.72) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL5312427 0.85 MAPK14 (1.00) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4964930 0.84 MAPK14 (0.70) MAPK14SCARB1GSK3ASRCSYK

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-2007058990-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-24 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed