SCHEMBL9952514

SCHEMBL9952514

CCOC(=O)c1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n(C2CCN(C(=O)OC(C)(C)C)CC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.46
OPRM1 P35372 5/20 0.42
OGFRL1 Q5TC84 5/20 0.42
OPRK1 P41145 4/20 0.42
OPRD1 P41143 3/20 0.42
BCHE P06276 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
TGFBR1 P36897 1/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL9953348 0.89 HTR6 (0.47) HTR6OPRM1OGFRL1OPRD1BCHE
SCHEMBL9953719 0.88 OGFRL1 (0.42) HTR6OPRM1OGFRL1OPRK1OPRD1
SCHEMBL9953113 0.87 HTR6 (0.46) HTR6OPRM1OGFRL1OPRD1BCHE
SCHEMBL9952657 0.86 HTR6 (0.46) HTR6OPRM1OGFRL1OPRD1BCHE
SCHEMBL9953229 0.86 HTR6 (0.45) HTR6OPRM1OGFRL1OPRK1OPRD1
SCHEMBL9953871 0.86 HTR6 (0.47) HTR6OPRM1OGFRL1OPRD1BCHE
SCHEMBL2226749 0.85 HTR6 (0.47) HTR6BCHETGFBR1GPR119
SCHEMBL2224307 0.85 HTR6 (0.48) HTR6BCHETGFBR1GPR119
SCHEMBL2276483 0.85 HTR6 (0.48) HTR6BCHETGFBR1GPR119
SCHEMBL9952710 0.84 HTR6 (0.49) HTR6BCHETGFBR1GPR119

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
WO-2012085176-A1 TRICYCLIC PYRAZINONE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JANUS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-28 WO disclosed