SCHEMBL4573401

SCHEMBL4573401

COc1nc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)cnc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.52
HDAC1 Q13547 1/20 0.48
GPR119 Q8TDV5 2/20 0.46
PIK3CD O00329 7/20 0.44
SUV39H2 Q9H5I1 2/20 0.42
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
GRM1 Q13255 1/20 0.39
SETD7 Q8WTS6 1/20 0.38
JAK3 P52333 3/20 0.38
PIK3R1 P27986 2/20 0.38
BTK Q06187 2/20 0.38
PIK3C2B O00750 1/20 0.38
AURKA O14965 1/20 0.38
YES1 P07947 1/20 0.38
HCK P08631 1/20 0.38
FGR P09769 1/20 0.38
EPHA1 P21709 1/20 0.38
GRK4 P32298 1/20 0.38

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
SCHEMBL8117739 1.00 MAP4K4 (0.52) MAP4K4HDAC1GPR119PIK3CDSUV39H2
SCHEMBL4574023 0.86 PIK3CD (0.43) MAP4K4PIK3CDGRM1JAK3PIK3R1
SCHEMBL4573109 0.86 MAP4K4 (0.51) MAP4K4HDAC1GPR119PIK3CDSUV39H2
SCHEMBL4573072 0.86 MAP4K4 (0.51) MAP4K4HDAC1GPR119PIK3CDSUV39H2
SCHEMBL4573301 0.84 MAP4K4 (0.58) MAP4K4HDAC1GPR119SUV39H2GRM1
SCHEMBL8117492 0.84 MAP4K4 (0.58) MAP4K4HDAC1GPR119SUV39H2GRM1
SCHEMBL21460229 0.81 MAP4K4 (0.54) MAP4K4HDAC1GPR119PIK3CDSUV39H2
SCHEMBL21460227 0.81 MAP4K4 (0.54) MAP4K4HDAC1GPR119PIK3CDSUV39H2
SCHEMBL31105042 0.81 MAP4K4 (0.54) MAP4K4HDAC1GPR119PIK3CDSUV39H2
SCHEMBL29498327 0.81 MAP4K4 (0.54) MAP4K4HDAC1GPR119PIK3CDSUV39H2

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed