SCHEMBL19980304

SCHEMBL19980304

C[C@H](CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC=O)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.45
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
HIF1A Q16665 5/20 0.38
DGAT1 O75907 1/20 0.34
USP30 Q70CQ3 2/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL22048709 0.80 AAK1 (0.44) AAK1CTSSCTSKMAPT
SCHEMBL22048702 0.78 CTSS (0.39) AAK1CTSSCTSKIRAK4
SCHEMBL24638293 0.77 AAK1 (0.50) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL15184583 0.76 AAK1 (0.51) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL2592447 0.74 AAK1 (0.55) AAK1PRMT5WDR77DGAT1CTSS
SCHEMBL14088011 0.74 PRMT5 (0.50) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL16491250 0.72 AAK1 (0.64) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL16491264 0.72 AAK1 (0.64) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL16491251 0.72 AAK1 (0.64) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL30931999 0.72 AAK1 (0.50) AAK1PRMT5WDR77HIF1ADGAT1

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 4 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-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