SCHEMBL58297

SCHEMBL58297

CC(C)(C)N(C(=O)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.44
F2 P00734 2/20 0.38
F11 P03951 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
HIF1A Q16665 3/20 0.38
DGAT1 O75907 1/20 0.37
LIPG Q9Y5X9 4/20 0.37
LPL P06858 3/20 0.37
P4HB P07237 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ROCK1 Q13464 1/20 0.33

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
SCHEMBL59027 0.88 F11 (0.39) AAK1F2F11PRSS1PRSS2
SCHEMBL58724 0.85 CSF1R (0.39) AAK1F2F11PRSS1PRSS2
SCHEMBL59978 0.85 ROCK1 (0.42) AAK1F2F11PRSS1PRSS2
SCHEMBL2136697 0.78 LIPG (0.46) AAK1F2F11PRSS1PRSS2
SCHEMBL1131421 0.76 TSHR (0.47) AAK1F2F11PRSS1PRSS2
SCHEMBL4753530 0.76 LIPG (0.40) AAK1F2F11PRSS1PRSS2
SCHEMBL15788035 0.76 LPL (0.42) AAK1F11LIPGLPLCA1
SCHEMBL18497287 0.75 AAK1 (0.40) AAK1F2F11PRSS1PRSS2
SCHEMBL2562627 0.75 AAK1 (0.47) AAK1F2F11PRSS1PRSS2
SCHEMBL1554719 0.74 DGAT1 (0.37) AAK1F2F11PRSS1PRSS2

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
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed