SCHEMBL301281

SCHEMBL301281

NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.66
PIK3CB P42338 13/20 0.66
PIK3CG P48736 13/20 0.66
PIK3CA P42336 12/20 0.66
CSNK2A1 P68400 4/20 0.62
MAPT P10636 2/20 0.60
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
ESR1 P03372 1/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL300848 0.93 PIK3CD (0.66) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300834 0.91 PIK3CD (0.69) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300978 0.90 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL301220 0.88 PIK3CD (0.70) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300915 0.87 PIK3CD (0.72) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300847 0.86 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300955 0.85 PIK3CD (0.72) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL301171 0.83 PIK3CD (0.75) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL301188 0.83 PIK3CD (0.78) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL293199 0.83 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1

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
EP-2078018-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARM LLC (US) 2012-03-14 EP claimed