SCHEMBL12166254

SCHEMBL12166254

Cc1nc2ccccc2n1-c1nc(NCCO)c2cc(CN3CCN(S(C)(=O)=O)CC3)sc2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.48
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
PIK3CA P42336 8/20 0.39
PIK3CB P42338 6/20 0.39
PIK3R1 P27986 2/20 0.38
PIK3CG P48736 3/20 0.37
ABCC4 O15439 1/20 0.36
ABCB11 O95342 1/20 0.36
VCP P55072 1/20 0.35
CHEK1 O14757 1/20 0.35
ATR Q13535 1/20 0.35
PDCD1 Q15116 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL190607 0.80 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL12166214 0.76 PIK3CA (0.56) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL190336 0.71 PIK3CD (0.86) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL12166291 0.67 PIK3CA (0.54) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL12166180 0.67 PIK3CA (0.69) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL12166394 0.66 PIK3CA (0.55) PIK3CDKDM4EALOX15PIK3CAPIK3CB
SCHEMBL12166377 0.66 ABCC4 (0.48) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL12166371 0.65 PIK3CA (0.56) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL11197951 0.64 KDM4E (0.50) KDM4EALOX15
SCHEMBL190138 0.63 PIK3CA (0.75) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG

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-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP disclosed