SCHEMBL5607192

SCHEMBL5607192

COc1cccc2nc(CSc3ncnc4[nH]cnc34)n(OC)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.51
PIK3CD O00329 2/20 0.50
PIK3CB P42338 1/20 0.50
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
ABL1 P00519 1/20 0.34
RAD52 P43351 1/20 0.34
RIN1 Q13671 1/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
ELANE P08246 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDR P35968 1/20 0.32
DCPS Q96C86 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
SCHEMBL732815 0.85 PIK3CG (0.51) PIK3CGPIK3CDPIK3CBALDH1A1HSD17B10
SCHEMBL735273 0.85 PIK3CG (0.69) PIK3CGPIK3CDPIK3CBALDH1A1HSD17B10
SCHEMBL734098 0.81 PIK3CG (0.77) PIK3CGPIK3CDPIK3CBALDH1A1HSD17B10
SCHEMBL369837 0.81 PIK3CG (0.77) PIK3CGPIK3CDPIK3CBALDH1A1HSD17B10
SCHEMBL735269 0.79 PIK3CG (0.59) PIK3CGPIK3CDPIK3CBALDH1A1HSD17B10
SCHEMBL1300328 0.76 PIK3CG (0.64) PIK3CGPIK3CDPIK3CBALDH1A1HSD17B10
SCHEMBL12105287 0.76 PIK3CG (0.64) PIK3CGPIK3CDPIK3CBALDH1A1HSD17B10
SCHEMBL5607199 0.75 PIK3CD (0.35) PIK3CGPIK3CDPIK3CBABL1RAD52
SCHEMBL1497355 0.75 PIK3CG (0.62) PIK3CGPIK3CDPIK3CBALDH1A1HSD17B10
SCHEMBL19198778 0.75 PIK3CG (0.62) PIK3CGPIK3CDPIK3CBALDH1A1HSD17B10

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 2 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 disclosed
WO-2005120511-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2005-12-22 WO disclosed