SCHEMBL4416952

SCHEMBL4416952

COc1ccc(-c2ccc(C(=O)C(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)c3ccccc23)cn1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.65
SCARB1 Q8WTV0 9/20 0.63
ABL1 P00519 1/20 0.55
EGFR P00533 1/20 0.55
RAF1 P04049 1/20 0.55
LYN P07948 1/20 0.55
BRAF P15056 1/20 0.55
EPHA2 P29317 1/20 0.55
EPHA3 P29320 1/20 0.55
AKT1 P31749 1/20 0.55
MAPK9 P45984 1/20 0.55

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
SCHEMBL4418756 0.91 MAPK14 (0.67) MAPK14SCARB1ABL1EGFRRAF1
SCHEMBL4416207 0.90 MAPK14 (0.63) MAPK14SCARB1ABL1EGFRRAF1
SCHEMBL1600447 0.87 MAPK14 (0.73) MAPK14SCARB1ABL1EGFRRAF1
SCHEMBL4952957 0.85 MAPK14 (0.83) MAPK14SCARB1
SCHEMBL1599403 0.85 MAPK14 (0.67) MAPK14SCARB1ABL1EGFRRAF1
SCHEMBL1600541 0.84 SCARB1 (0.60) MAPK14SCARB1ABL1EGFRRAF1
SCHEMBL1600035 0.83 SCARB1 (0.74) MAPK14SCARB1
SCHEMBL1599599 0.83 ABL1 (0.81) MAPK14SCARB1ABL1EGFRRAF1
SCHEMBL4949130 0.82 MAPK14 (0.71) MAPK14SCARB1
SCHEMBL4413512 0.82 SCARB1 (0.68) MAPK14SCARB1ABL1EGFRRAF1

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