SCHEMBL4639335

SCHEMBL4639335

CC(C)(C)OC(=O)N1C=CC=CC1c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.43
RIPK1 Q13546 1/20 0.38
GRM5 P41594 2/20 0.38
USP30 Q70CQ3 1/20 0.37
CASP1 P29466 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
BCL2 P10415 1/20 0.37
BECN1 Q14457 1/20 0.37
GRM1 Q13255 1/20 0.36
BCHE P06276 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MMP13 P45452 1/20 0.34
NPEPPS P55786 1/20 0.34
PKM P14618 1/20 0.33
NR1H2 P55055 1/20 0.33

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
Iodide SCHEMBL28890119 0.81 PKM (0.40) RIPK1CASP1ALDH1A1KDM4EHSD17B10
SCHEMBL16291997 0.81 NPEPPS (0.38) RIPK1CASP1ALDH1A1KDM4EHSD17B10
SCHEMBL2998444 0.72 GPR119 (0.54) GPR119RIPK1GRM5USP30POLB
SCHEMBL31228209 0.72 GPR119 (0.54) GPR119RIPK1GRM5USP30POLB
SCHEMBL23053142 0.71 ALDH1A1 (0.40) RIPK1CASP1ALDH1A1POLBKDM4E
SCHEMBL29785757 0.70 GPR119 (0.52) GPR119RIPK1GRM5USP30ALDH1A1
SCHEMBL30469398 0.70 GPR119 (0.65) GPR119USP30POLBKDM4EMMP13
SCHEMBL4080053 0.70 GPR119 (0.65) GPR119USP30POLBKDM4EMMP13
SCHEMBL29549924 0.70 GPR119 (0.52) GPR119RIPK1GRM5USP30ALDH1A1
SCHEMBL22039535 0.69 HSD11B1 (0.54) GPR119RIPK1ALDH1A1POLBKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107567450-B Heterocyclic compounds useful as TNF inhibitors 百时美施贵宝公司 2020-03-13 CN disclosed
EP-1951234-A2 METHOD OF INHIBITING FLT3 KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP disclosed
WO-2007048088-A2 METHOD OF INHIBITING FLT3 KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-26 WO disclosed
EP-1747222-A1 PYRIMIDINE DERIVATIVES ANTAGONISTS OF VITRONECTIN RECEPTOR Proskelia SAS (FR) 2007-01-31 EP disclosed
WO-2005123734-A1 PYRIMIDINE DERIVATIVES ANTAGONISTS OF VITRONECTIN RECEPTOR PROSKELIA SAS (FR) 2005-12-29 WO disclosed