SCHEMBL16854003

SCHEMBL16854003

Cc1c(C(=O)N=[S@](C)(=O)c2ccccc2)cn2ncnc(Nc3ccc(F)cc3O[C@H]3CC[C@H](O)CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MKNK2 Q9HBH9 14/20 0.49
▸ MKNK1 Q9BUB5 4/20 0.44
▸ MAPK14 Q16539 6/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ EIF4E P06730 1/20 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
SCHEMBL16853997 0.92 MKNK2 (0.55) MKNK2MKNK1MAPK14EIF4E
SCHEMBL16854164 0.90 MKNK2 (0.49) MKNK2MKNK1MAPK14MAPK11EIF4E
SCHEMBL16854061 0.89 MKNK2 (0.51) MKNK2MKNK1MAPK14MAPK11EIF4E
SCHEMBL16854047 0.89 MKNK2 (0.41) MKNK2MKNK1MAPK14MAPK11EIF4E
SCHEMBL16854032 0.86 MKNK2 (0.51) MKNK2MKNK1
SCHEMBL16854074 0.86 MKNK2 (0.49) MKNK2MKNK1MAPK14EIF4E
SCHEMBL16854041 0.86 MKNK2 (0.52) MKNK2MKNK1
SCHEMBL16854081 0.86 MKNK2 (0.49) MKNK2MKNK1MAPK14MAPK11EIF4E
SCHEMBL16854052 0.85 MAPK14 (0.42) MAPK14MAPK11
SCHEMBL16854059 0.81 MKNK2 (0.55) MKNK2MKNK1EIF4E

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-2015091156-A1 SULFOXIMINE SUBSTITUTED PYRROLOTRIAZINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-25 — — WO disclosed
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