SCHEMBL5606928

SCHEMBL5606928

Nc1nc(NCCc2nc3ccccc3c(=O)n2-c2cccc(F)c2)c2nc[nH]c2n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
CCKBR P32239 1/20 0.42
USP2 O75604 1/20 0.42
PDE10A Q9Y233 1/20 0.40
APP P05067 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5607517 0.93 PIK3CD (0.44) PIK3CDCCKBRUSP2PDE10AAPP
SCHEMBL5606945 0.90 PIK3CD (0.52) PIK3CDCCKBRUSP2PDE10AMAPT
SCHEMBL5606800 0.90 PIK3CD (0.44) PIK3CD
SCHEMBL5607940 0.88 PIK3CD (0.47) PIK3CD
SCHEMBL5607070 0.88 PIK3CD (0.48) PIK3CD
SCHEMBL5262172 0.87 PDE7A (0.41) CCKBRPDE10AAPPMAPTSMN1; SMN2
SCHEMBL5606766 0.86 MAPT (0.46) USP2PDE10AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5607807 0.85 PIK3CG (0.44) PIK3CD
SCHEMBL5607711 0.83 PIK3CD (0.46) PIK3CDSMN1; SMN2
SCHEMBL5606274 0.83 PIK3CD (0.44) PIK3CDCCKBRUSP2PDE10AMAPT

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-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-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