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Sugi Predict / Compounds / SCHEMBL5138700

SCHEMBL5138700

SCHEMBL5138700

CC(Nc1nccc(-c2[nH]c(C3OCC(C)(C4COCC[N]4)CO3)nc2-c2ccc(F)cc2)n1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.52
▸ MAPK13 O15264 8/20 0.52
▸ MAPK12 P53778 8/20 0.52
▸ MAPK11 Q15759 8/20 0.52
▸ RAF1 P04049 2/20 0.46
▸ MAPK9 P45984 2/20 0.46

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
SCHEMBL5772398 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5769819 0.86 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5138702 0.85 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5772359 0.85 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5770650 0.84 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5771189 0.84 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5771461 0.84 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5770739 0.83 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5769686 0.83 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771540 0.83 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 — — WO disclosed