SCHEMBL19980190

SCHEMBL19980190

CN1C(=O)[C@@H](N)COc2ccc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
RIPK1 Q13546 9/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
MCL1 Q07820 2/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
GAA P10253 1/20 0.37
RIPK3 Q9Y572 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
SCHEMBL17321246 0.90 MAPT (0.47) LMNARIPK1ALDH1A1MAPK1TDP1
SCHEMBL17321225 0.86 SMN1; SMN2 (0.45) LMNARIPK1ALDH1A1
SCHEMBL15964590 0.86 RIPK1 (0.40) RIPK1ALDH1A1
SCHEMBL23189065 0.85 MAPT (0.45) LMNARIPK1ALDH1A1MAPK1TDP1
Hydrochloric Acid SCHEMBL29271402 0.85 SMN1; SMN2 (0.44) RIPK1ALDH1A1
SCHEMBL29271326 0.83 HPGD (0.53) ALDH1A1MAPK1
SCHEMBL29271276 0.83 HPGD (0.50) ALDH1A1
SCHEMBL29271299 0.82 CHRNB4 (0.39) LMNARIPK1ALDH1A1MAPK1
SCHEMBL15964769 0.82 HPGD (0.51) TDP1GAA
Hydrochloric Acid SCHEMBL30986628 0.82 HPGD (0.49) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed