SCHEMBL14745971

SCHEMBL14745971

Cc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)c1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.33
F11 P03951 2/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
DGAT1 O75907 1/20 0.31
POLB P06746 2/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
LIPE Q05469 1/20 0.30
USP30 Q70CQ3 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL14745854 0.81 F11 (0.35) UCHL1F11F2PRSS1PRSS2
SCHEMBL30831491 0.81 F11 (0.35) UCHL1F11F2PRSS1PRSS2
SCHEMBL29843434 0.79 DGAT1 (0.34) UCHL1DGAT1KMT2ALIPEUSP30
SCHEMBL28811788 0.79 DGAT1 (0.34) UCHL1DGAT1KMT2ALIPEUSP30
SCHEMBL14746448 0.76 KDM4E (0.31) KDM4EKMT2A
Bicarbonate SCHEMBL13674697 0.74 F2 (0.33) UCHL1F11F2PRSS1PRSS2
SCHEMBL19744093 0.73 SIRT6 (0.37) UCHL1F11F2PRSS1PRSS2
SCHEMBL3627380 0.73 CA1 (0.36)
SCHEMBL3450364 0.73 UCHL1 (0.38) UCHL1DGAT1POLBLIPEUSP30
SCHEMBL16599602 0.73 UCHL1 (0.34) UCHL1F11F2PRSS1PRSS2

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-2751109-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Corporation (US) 2014-07-09 EP disclosed
WO-2013033569-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 WO disclosed