SCHEMBL14745974

SCHEMBL14745974

Cc1nc(C)c(C(N)=O)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NNMT P40261 2/20 0.36
PARP1 P09874 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
UCHL1 P09936 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
CDC7 O00311 1/20 0.31
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
SCHEMBL20519911 0.78 NNMT (0.37) NNMTF11F2PRSS1PRSS2
SCHEMBL1710489 0.75 DGAT1 (0.35) NNMTF11F2PRSS1PRSS2
SCHEMBL23795678 0.74 UCHL1 (0.35) KDM4ESMN1; SMN2UCHL1L3MBTL1
SCHEMBL28628579 0.74 SMN1; SMN2 (0.62) KDM4ESMN1; SMN2NNMTPARP1L3MBTL1
SCHEMBL21199613 0.73 GAA (0.45) KDM4ESMN1; SMN2UCHL1L3MBTL1
SCHEMBL14745854 0.73 F11 (0.35) PARP1F11F2PRSS1PRSS2
SCHEMBL30831491 0.73 F11 (0.35) PARP1F11F2PRSS1PRSS2
SCHEMBL16599604 0.73 KDM4E (0.33) KDM4EF11F2PRSS1PRSS2
Bicarbonate SCHEMBL13674697 0.72 F2 (0.33) F11F2PRSS1PRSS2PRSS3
SCHEMBL2825036 0.72 F11 (0.36) NNMTPARP1F11F2PRSS1

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