SCHEMBL13674698

SCHEMBL13674698

Cc1nc(N)ncc1B1OC(C)(C)C(C)(C)O1.O=C(O)OC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
UCHL1 P09936 1/20 0.33
F2 P00734 1/20 0.32
F11 P03951 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 0.32
HSP90AA1 P07900 1/20 0.32
LIPE Q05469 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP30 Q70CQ3 1/20 0.31
ABL1 P00519 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL1114281 0.89 RXFP1 (0.33) PDGFRBKDRUCHL1
SCHEMBL2872042 0.80 PDGFRB (0.43) PDGFRBKDRF2F11PRSS1
SCHEMBL12537353 0.77 PIK3CA (0.34)
Bicarbonate SCHEMBL13674697 0.77 F2 (0.33) PDGFRBKDRUCHL1F2F11
SCHEMBL856951 0.75 DHFR (0.34) PDGFRBKDR
SCHEMBL17841389 0.73 LPL (0.31)
SCHEMBL854982 0.73 NUDT1 (0.35) UCHL1
Formamide SCHEMBL28514935 0.71
SCHEMBL13449514 0.71 NUDT1 (0.33)
SCHEMBL1180891 0.71 TSHR (0.41) DGAT1LIPEUSP30

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-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 EP disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed