SCHEMBL6507569

SCHEMBL6507569

O=C1NC(=O)C(=Cc2ccc(C#CCN3C(=O)COc4ccccc43)cc2)S1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.49
HPGD P15428 2/20 0.46
PIM1 P11309 2/20 0.44
PIM3 Q86V86 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
GSK3B P49841 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
MTOR P42345 1/20 0.42

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
SCHEMBL6507567 1.00 PIK3CG (0.49) PIK3CGHPGDPIM1PIM3PIM2
SCHEMBL6510852 0.84 MGAM (0.50) PIK3CGHPGDPIM1PIM3PIM2
SCHEMBL6510848 0.84 MGAM (0.50) PIK3CGHPGDPIM1PIM3PIM2
SCHEMBL6533265 0.83 PTAFR (0.46) GAA
SCHEMBL6507599 0.82 GSK3B (0.48) HPGDPIM1PIM3PIM2GSK3B
SCHEMBL6507602 0.82 GSK3B (0.48) HPGDPIM1PIM3PIM2GSK3B
SCHEMBL6511845 0.81 PIM1 (0.50) HPGDPIM1PIM3PIM2GSK3B
SCHEMBL6511842 0.81 PIM1 (0.50) HPGDPIM1PIM3PIM2GSK3B
SCHEMBL6512061 0.81 PIM1 (0.45) HPGDPIM1PIM3PIM2MGAM
SCHEMBL6512065 0.81 PIM1 (0.45) HPGDPIM1PIM3PIM2MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO claimed
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed