SCHEMBL14720186

SCHEMBL14720186

CC(C)(C)OC(=O)N1CC[C@@H](CN(Cc2ccccc2)C(=O)c2ccc(Br)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
USP30 Q70CQ3 1/20 0.52
SLC2A1 P11166 1/20 0.49
LIMK2 P53671 1/20 0.49
GPR119 Q8TDV5 6/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
NR1D1 P20393 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
STS P08842 1/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL1622025 0.88 JAK2 (0.60) JAK2JAK1USP30SLC2A1LIMK2
SCHEMBL1623986 0.88 JAK2 (0.60) JAK2JAK1USP30SLC2A1LIMK2
SCHEMBL15462496 0.88 JAK2 (0.60) JAK2JAK1USP30SLC2A1LIMK2
SCHEMBL14720201 0.86 HDAC1 (0.52) PKMHDAC1HDAC6KMT2A
SCHEMBL15626828 0.82 JAK2 (0.54) JAK2JAK1USP30SLC2A1LIMK2
SCHEMBL1624362 0.82 JAK2 (0.55) JAK2JAK1USP30GPR119KDM4E
SCHEMBL1622751 0.82 JAK2 (0.55) JAK2JAK1USP30GPR119KDM4E
SCHEMBL1624057 0.82 JAK2 (0.55) JAK2JAK1USP30GPR119KDM4E
SCHEMBL15538837 0.79 KDM4E (0.50) JAK2JAK1LIMK2GPR119KDM4E
SCHEMBL3082993 0.78 KDM4E (0.53) JAK2JAK1SLC2A1LIMK2GPR119

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-2013028445-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed