SCHEMBL16101304

SCHEMBL16101304

C=CC(=O)N1CCOc2ccc(NC(=O)c3cccc4c3NC[C@@H](C)NC4=O)cc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.42
▸ ALK Q9UM73 1/20 0.42
▸ MAPKAPK2 P49137 2/20 0.41
▸ ITK Q08881 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL16123069 0.79 MAPKAPK2 (0.65) EGFRMAPKAPK2
SCHEMBL16100702 0.69 MAPKAPK2 (0.68) MAPKAPK2
SCHEMBL16101729 0.69 MAPKAPK2 (0.68) MAPKAPK2
SCHEMBL16123244 0.69 MAPKAPK2 (0.68) MAPKAPK2
SCHEMBL16123306 0.68 MAPKAPK2 (0.54) EGFRMAPKAPK2
SCHEMBL17361151 0.68 MAPKAPK2 (0.54) EGFRMAPKAPK2
SCHEMBL16101785 0.67 MAPKAPK2 (0.75) MAPKAPK2
SCHEMBL16100274 0.66 MAPKAPK2 (0.63) MAPKAPK2
SCHEMBL16123216 0.65 MAPKAPK2 (0.66) MAPKAPK2BRD4CREBBP
SCHEMBL16123119 0.64 MAPKAPK2 (0.77) EGFRMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
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