Sugi Predict

Sugi Predict / Compounds / SCHEMBL5312427

SCHEMBL5312427

SCHEMBL5312427

COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)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 0.60
▸ GSK3A P49840 2/20 0.51
▸ SRC P12931 2/20 0.51
▸ SYK P43405 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
SCHEMBL4571044 0.89 MAPK14 (0.80) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL5312205 0.89 MAPK14 (1.00) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL4419926 0.85 MAPK14 (0.83) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL1600035 0.84 SCARB1 (0.74) MAPK14SCARB1
SCHEMBL1599924 0.84 MAPK14 (0.71) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL1600941 0.83 MAPK14 (1.00) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL1598842 0.83 MAPK14 (0.81) MAPK14SCARB1GSK3ASRCSYK
SCHEMBL1600447 0.83 MAPK14 (0.73) MAPK14SCARB1
SCHEMBL4949130 0.83 MAPK14 (0.71) MAPK14SCARB1
SCHEMBL5809059 0.81 MAPK14 (0.68) MAPK14SCARB1

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 3 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
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