SCHEMBL1120098

SCHEMBL1120098

COc1cncc(-c2cc(NC(=O)c3csc(C)n3)c3cn[nH]c3c2)c1.Cc1nc(C(N)=O)c(-c2cc(Br)cc3[nH]ncc23)s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.52
PIK3CG P48736 5/20 0.46
PIK3CA P42336 5/20 0.46
PIK3CB P42338 5/20 0.46
PIM1 P11309 4/20 0.37
GSK3B P49841 4/20 0.37
FBP1 P09467 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
CDK7 P50613 1/20 0.31

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
SCHEMBL457717 0.85 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1120285 0.81 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1772497 0.78 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1959907 0.78 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1959680 0.76 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1118820 0.75 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL2056099 0.75 PIK3CD (0.63) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1772173 0.75 PIK3CD (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1957355 0.73 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1959511 0.73 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPIM1

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-2280946-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES Glaxo Group Limited (GB) 2011-02-09 EP disclosed