SCHEMBL4565276

SCHEMBL4565276

COc1c(NC(=O)C(=O)c2ccc(Nc3ccnc(N4CCCC4)n3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.76
SCARB1 Q8WTV0 8/20 0.56
GSK3A P49840 3/20 0.49
SRC P12931 2/20 0.49
SYK P43405 2/20 0.49
BRAF P15056 2/20 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
SCHEMBL4944592 0.94 MAPK14 (0.74) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL1599582 0.94 MAPK14 (0.77) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4949171 0.92 MAPK14 (0.64) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4950811 0.90 MAPK14 (0.72) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4958233 0.90 MAPK14 (0.72) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4946391 0.90 MAPK14 (0.70) MAPK14SCARB1BRAF
SCHEMBL4964930 0.89 MAPK14 (0.70) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4955134 0.89 MAPK14 (0.68) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4419926 0.88 MAPK14 (0.83) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4949439 0.88 MAPK14 (0.58) MAPK14GSK3ASRCSYKBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO claimed
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO 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