SCHEMBL2596938

SCHEMBL2596938

CC(C)(C)OC(=O)N1CCC(n2cc3nccc(I)c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
HCAR1 Q9BXC0 1/20 0.43
MET P08581 3/20 0.41
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
STS P08842 2/20 0.41

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
SCHEMBL2596936 0.82 FAAH (0.46) GPR119FAAHSTS
SCHEMBL2598399 0.77 GPR119 (0.47) GPR119IRAK4HCAR1POLB
SCHEMBL31435997 0.77 ALDH1A1 (0.45) GPR119IRAK4DDB1CRBNSTS
SCHEMBL29040774 0.76 GPR119 (0.45) GPR119IRAK4HCAR1DDB1CRBN
SCHEMBL25198478 0.76 HCAR1 (0.44) GPR119HCAR1METDDB1CRBN
SCHEMBL31435934 0.76 IRAK4 (0.44) GPR119IRAK4HCAR1METFAAH
SCHEMBL25200960 0.76 DDB1 (0.40) GPR119IRAK4METDDB1CRBN
SCHEMBL25219348 0.75 DDB1 (0.40) GPR119IRAK4HCAR1METDDB1
SCHEMBL1582522 0.75 GPR119 (0.47) GPR119IRAK4HCAR1DDB1CRBN
SCHEMBL20135591 0.74 GPR119 (0.50) GPR119IRAK4HCAR1METDDB1

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-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO disclosed