SCHEMBL12205348

SCHEMBL12205348

CC(C)(C)OC(=O)N1CCC(CNc2cncc(Nc3ccc4cc[nH]c4n3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.44
JAK2 O60674 3/20 0.44
TYK2 P29597 2/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
PRMT5 O14744 1/20 0.42
SYK P43405 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
BCDIN3D Q7Z5W3 1/20 0.41
TGFBR1 P36897 2/20 0.41
BRD4 O60885 1/20 0.40
GPR119 Q8TDV5 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
GRIN2B Q13224 1/20 0.40
JAK3 P52333 1/20 0.39

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
SCHEMBL12205335 0.83 KDM4E (0.55) KDM4EPKMSYKIDO1TDO2
SCHEMBL12225151 0.82 BRD3 (0.45) JAK1KDM4EPKMPRMT5SYK
SCHEMBL12247504 0.80 KDM4E (0.51) KDM4EPKMSYKIDO1TDO2
SCHEMBL12205201 0.78 TGFBR1 (0.56) KDM4EPKMSYKTGFBR1GPR119
SCHEMBL15206132 0.77 IDO1 (0.53) KDM4EPKMSYKIDO1TDO2
SCHEMBL12131873 0.76 JAK1 (0.55) JAK1JAK2TYK2PRMT5SYK
SCHEMBL4933145 0.76 GPR119 (0.51) KDM4EPKMTGFBR1GPR119CYP3A4
SCHEMBL12225168 0.74 IDO1 (0.42) JAK1JAK2TYK2KDM4EPKM
SCHEMBL6148442 0.73 CYP2D6 (0.64) KDM4EPKMTGFBR1GPR119CYP3A4
SCHEMBL29762671 0.71 JAK1 (0.54) JAK1JAK2TYK2KDM4EPRMT5

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
EP-2377860-A1 Novel compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC Immune S.A. (CH) 2011-10-19 EP disclosed