SCHEMBL5314960

SCHEMBL5314960

COc1c(N)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2ccnc(NCCc3ccccc3)n2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.65
GSK3A P49840 8/20 0.46
SCARB1 Q8WTV0 3/20 0.44
SRC P12931 2/20 0.41
SYK P43405 2/20 0.41

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
SCHEMBL1599748 0.88 MAPK14 (0.79) MAPK14GSK3ASCARB1SRCSYK
SCHEMBL4418875 0.88 MAPK14 (0.59) MAPK14GSK3ASCARB1
SCHEMBL1600084 0.85 MAPK14 (0.64) MAPK14GSK3ASCARB1SRCSYK
SCHEMBL1600569 0.84 MAPK14 (0.64) MAPK14GSK3ASCARB1SRCSYK
SCHEMBL4413523 0.82 MAPK14 (0.58) MAPK14GSK3ASCARB1SRCSYK
SCHEMBL4551970 0.80 MAPK14 (0.81) MAPK14GSK3ASCARB1SRCSYK
SCHEMBL14155409 0.79 MAPK14 (0.59) MAPK14GSK3ASCARB1SRCSYK
SCHEMBL1600941 0.79 MAPK14 (1.00) MAPK14GSK3ASCARB1SRCSYK
SCHEMBL1600014 0.79 MAPK14 (0.64) MAPK14GSK3ASCARB1
SCHEMBL4419926 0.79 MAPK14 (0.83) MAPK14GSK3ASCARB1SRCSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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