SCHEMBL16854021

SCHEMBL16854021

Cc1c(C(=O)O)cn2ncnc(Nc3cccnc3O[C@H]3CC[C@H](O)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 2/20 0.47
▸ MAPK14 Q16539 16/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MAP2K1 Q02750 1/20 0.44
▸ 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
SCHEMBL16854050 0.88 TYK2 (0.44) TYK2MAPK14MAPK11KDR
SCHEMBL16854052 0.86 MAPK14 (0.42) TYK2MAPK14MAPK11MAP2K1
SCHEMBL16854046 0.86 TYK2 (0.42) TYK2MAPK14MAPK11MAP2K1
SCHEMBL16854068 0.84 TYK2 (0.40) TYK2MAPK14MAPK11
SCHEMBL16854067 0.84 TYK2 (0.40) TYK2MAPK14MAPK11
SCHEMBL16854081 0.81 MKNK2 (0.49) MAPK14MAPK11KDR
SCHEMBL16854035 0.75 MKNK2 (0.41) MAPK14MAPK11KDR
SCHEMBL2394406 0.74 MKNK2 (0.66) —
SCHEMBL12257366 0.74 MKNK2 (0.66) —
SCHEMBL2391758 0.74 MKNK2 (0.66) —

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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