SCHEMBL16854061

SCHEMBL16854061

CCS(C)(=O)=NC(=O)c1cn2ncnc(Nc3ccc(F)cc3O[C@H]3CC[C@H](O)CC3)c2c1C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MKNK2 Q9HBH9 14/20 0.51
▸ MKNK1 Q9BUB5 5/20 0.44
▸ EIF4E P06730 1/20 0.42
▸ MAPK14 Q16539 6/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK11 Q15759 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 0.94 MKNK2 (0.55) MKNK2MKNK1EIF4EMAPK14
SCHEMBL16854074 0.92 MKNK2 (0.49) MKNK2MKNK1EIF4EMAPK14
SCHEMBL16854003 0.89 MKNK2 (0.49) MKNK2MKNK1EIF4EMAPK14MAPK11
SCHEMBL16854170 0.89 MKNK2 (0.51) MKNK2MKNK1EIF4E
SCHEMBL16854053 0.88 MKNK2 (0.41) MKNK2MKNK1EIF4EMAPK14CYP3A4
SCHEMBL16854025 0.87 MKNK2 (0.53) MKNK2MKNK1
SCHEMBL16854081 0.86 MKNK2 (0.49) MKNK2MKNK1EIF4EMAPK14CYP3A4
SCHEMBL16854166 0.86 MKNK2 (0.52) MKNK2MKNK1
SCHEMBL16854072 0.86 MKNK2 (0.54) MKNK2MKNK1
SCHEMBL16854046 0.84 TYK2 (0.42) MAPK14CYP3A4MAPK11

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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