SCHEMBL16854022

SCHEMBL16854022

COc1c(C(=O)O)cn2ncnc(Nc3ccc(F)cc3O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OC)c12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MKNK2 Q9HBH9 18/20 0.54
▸ MKNK1 Q9BUB5 8/20 0.54
▸ EPHA2 P29317 2/20 0.43
▸ EPHB4 P54760 2/20 0.43
▸ ERBB2 P04626 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ KDR P35968 1/20 0.42

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
SCHEMBL16854177 0.92 MKNK2 (0.51) MKNK2MKNK1KDR
SCHEMBL16854019 0.91 MKNK2 (0.52) MKNK2MKNK1EPHA2EPHB4ERBB2
SCHEMBL16853999 0.90 MKNK2 (0.59) MKNK2MKNK1
SCHEMBL16854018 0.85 MKNK2 (0.52) MKNK2MKNK1EPHA2EPHB4KDR
SCHEMBL16854030 0.84 MKNK2 (0.56) MKNK2MKNK1
SCHEMBL16854005 0.82 MKNK2 (0.57) MKNK2MKNK1
SCHEMBL16854076 0.82 MKNK2 (0.51) MKNK2MKNK1
SCHEMBL16854033 0.82 MKNK2 (0.51) MKNK2MKNK1
SCHEMBL16853992 0.81 MKNK2 (0.58) MKNK2MKNK1
SCHEMBL16854166 0.81 MKNK2 (0.52) MKNK2MKNK1

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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