SCHEMBL9953063

SCHEMBL9953063

CC(C)(C)[S@+]([O-])NCCc1cc2cccnc2nc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.33
AKT1 P31749 4/20 0.33
AKT2 P31751 4/20 0.33
HIF1A Q16665 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
ADK P55263 1/20 0.30
PIK3CD O00329 1/20 0.30
SUCNR1 Q9BXA5 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
SCHEMBL9953071 1.00 DHODH (0.33) DHODHAKT1AKT2HIF1AGPR84
SCHEMBL9068281 0.77 DHODH (0.40) DHODHAKT1AKT2GPR84ADK
SCHEMBL9953062 0.74 PIK3CG (0.37) DHODHPIK3CD
SCHEMBL10080210 0.74 PIK3CG (0.37) DHODHPIK3CD
SCHEMBL15302654 0.74 PIK3CG (0.37) DHODHPIK3CD
SCHEMBL9953697 0.74 DHODH (0.45) DHODHAKT1AKT2SUCNR1
SCHEMBL30724619 0.74 DHODH (0.45) DHODHAKT1AKT2SUCNR1
SCHEMBL9959766 0.73 DHODH (0.35) DHODH
SCHEMBL2721580 0.69 PIK3CD (0.33) HIF1APIK3CD
SCHEMBL23355293 0.69 HTR2A (0.44)

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-2655342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-10-30 EP disclosed
WO-2012087784-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-06-28 WO disclosed