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SCHEMBL5312205

SCHEMBL5312205

COc1c(NC(=O)C(=O)c2ccc(Nc3ccncn3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 1.00
▸ SCARB1 Q8WTV0 8/20 0.59
▸ SRC P12931 2/20 0.51
▸ SYK P43405 2/20 0.51
▸ GSK3A P49840 2/20 0.51
▸ LCK P06239 1/20 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
SCHEMBL5312427 0.89 MAPK14 (1.00) MAPK14SCARB1SRCSYKGSK3A
SCHEMBL4419926 0.88 MAPK14 (0.83) MAPK14SCARB1SRCSYKGSK3A
SCHEMBL1600941 0.87 MAPK14 (1.00) MAPK14SCARB1SRCSYKGSK3A
SCHEMBL1598842 0.87 MAPK14 (0.81) MAPK14SCARB1SRCSYKGSK3A
SCHEMBL4565276 0.84 MAPK14 (0.76) MAPK14SCARB1SRCSYKGSK3A
SCHEMBL4571044 0.83 MAPK14 (0.80) MAPK14SCARB1SRCSYKGSK3A
SCHEMBL4944592 0.83 MAPK14 (0.74) MAPK14SCARB1SRCSYKGSK3A
SCHEMBL1599582 0.82 MAPK14 (0.77) MAPK14SCARB1SRCSYKGSK3A
SCHEMBL5822302 0.82 MAPK14 (0.69) MAPK14SCARB1SRCSYK
SCHEMBL4950811 0.81 MAPK14 (0.72) MAPK14SCARB1SRCSYKGSK3A

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