SCHEMBL5262172

SCHEMBL5262172

Nc1nc(NCCc2nc3ccccc3c(=O)n2-c2c(F)cccc2F)c2nc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7B Q9NP56 1/20 0.41
APP P05067 2/20 0.39
NUDT1 P36639 1/20 0.38
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
PIK3CG P48736 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCKBR P32239 1/20 0.35
PDE10A Q9Y233 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL5607462 0.89 PDE7A (0.42) PDE7APDE4APDE4BPDE4CPDE4D
SCHEMBL5607745 0.87 PIK3CD (0.43) PIK3CG
SCHEMBL5606928 0.87 PIK3CD (0.45) APPMAPTALDH1A1SMN1; SMN2CCKBR
SCHEMBL5607517 0.87 PIK3CD (0.44) APPNUDT1MAPTALDH1A1CCKBR
SCHEMBL5607807 0.85 PIK3CG (0.44) PDE4DNUDT1PIK3CG
SCHEMBL5606766 0.83 MAPT (0.46) MAPTALDH1A1SMN1; SMN2PDE10AHSD17B10
SCHEMBL5606253 0.82 PIK3CD (0.42) PIK3CG
SCHEMBL5607359 0.82 PIK3CD (0.44) PIK3CG
SCHEMBL7207017 0.82 PIK3CG (0.53) POLBRECQLPIK3CG
SCHEMBL5606800 0.82 PIK3CD (0.44) PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750715-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2007-02-14 EP claimed
WO-2005120511-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2005-12-22 WO claimed
EP-1761540-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2007-03-14 EP disclosed
EP-1750715-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2007-02-14 EP disclosed
WO-2005120511-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2005-12-22 WO disclosed
WO-2005113556-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2005-12-01 WO disclosed