SCHEMBL8178773

SCHEMBL8178773

O=C(N[C@H]1CC[C@@H](I)CC1)c1cc(F)cnc1NC1CCSCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.40
IRAK4 Q9NWZ3 5/20 0.39
HPGD P15428 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4D Q08499 1/20 0.38
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
AXL P30530 1/20 0.37
SYK P43405 2/20 0.36
MAP4K4 O95819 1/20 0.36
FLT3 P36888 1/20 0.36
GAS6 Q14393 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL4110544 0.90 MCHR1 (0.40) MCHR1IRAK4HPGDPDE4BPDE4A
SCHEMBL4110540 0.90 MCHR1 (0.40) MCHR1IRAK4HPGDPDE4BPDE4A
SCHEMBL4107432 0.83 HPGD (0.40) MCHR1IRAK4HPGDPDE4BPDE4A
SCHEMBL4107426 0.83 HPGD (0.40) MCHR1IRAK4HPGDPDE4BPDE4A
SCHEMBL8177115 0.83 IRAK4 (0.41) IRAK4PDE4BPDE4APDE4DMERTK
SCHEMBL4100544 0.81 HCAR3 (0.38) IRAK4JAK2
SCHEMBL13697674 0.78 IRAK4 (0.40) IRAK4HPGDPDE4BPDE4APDE4D
SCHEMBL8176391 0.76 SELP (0.39) MCHR1HPGDPDE4BTYRO3JAK2
SCHEMBL4105480 0.76 HPGD (0.36) MCHR1IRAK4HPGDPDE4BPDE4A
SCHEMBL4105477 0.76 HPGD (0.36) MCHR1IRAK4HPGDPDE4BPDE4A

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-2008084236-A1 CHEMICAL COMPOUNDS 635 : PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed