SCHEMBL4005876

SCHEMBL4005876

O=CN1CCN(c2ccc(-c3ccnc(-c4cnc(N5CCCOCC5)nc4)c3)[nH]2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
MAPT P10636 1/20 0.35
PRKDC P78527 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
SYK P43405 1/20 0.34
KCNH2 Q12809 1/20 0.33
AOC3 Q16853 1/20 0.33
AKT1 P31749 2/20 0.33
MTOR P42345 1/20 0.33
TNKS O95271 1/20 0.33
TGFBR1 P36897 2/20 0.33
EIF2AK2 P19525 1/20 0.32
CNR2 P34972 1/20 0.32
ITGB2 P05107 1/20 0.32

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
SCHEMBL14283752 0.85 PIK3CA (0.39) PIK3CAPIK3R1PIK3CDPIK3CBMAPKAPK2
SCHEMBL13441991 0.83 MAPKAPK2 (0.34) PIK3CAPIK3R1PIK3CDPIK3CBMAPKAPK2
SCHEMBL3618166 0.83 TBK1 (0.39) PIK3CAPIK3R1PIK3CDPIK3CBMAPKAPK2
SCHEMBL14283774 0.72 PIK3CA (0.41) PIK3CAPIK3R1PIK3CDPIK3CBMAPKAPK2
SCHEMBL3610717 0.70 PRKAB2 (0.40) PIK3CAPIK3R1PIK3CDPIK3CBMAPKAPK2
SCHEMBL13408194 0.70 TBK1 (0.41) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL13442016 0.70 MYLK4 (0.36) PIK3CAPIK3R1PIK3CDPIK3CBMAPKAPK2
SCHEMBL14282949 0.70 PIK3CA (0.39) PIK3CAPIK3R1PIK3CDPIK3CBMAPKAPK2
SCHEMBL13408206 0.68 TBK1 (0.42)
SCHEMBL15344111 0.67 PIK3CA (0.53) PIK3CAPIK3R1PIK3CDPIK3CBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO disclosed