SCHEMBL807817

SCHEMBL807817

CC(C)(N)c1ccc(-c2nnc3cnc4ccc(-c5ccc6nc(N)sc6c5)cc4n23)cn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 19/20 0.52
PI4KB Q9UBF8 19/20 0.52
PIK3CA P42336 18/20 0.52
PIK3CD O00329 17/20 0.52
PIK3CB P42338 17/20 0.52
PIK3CG P48736 16/20 0.52
ALKBH5 Q6P6C2 1/20 0.45
FTO Q9C0B1 1/20 0.45
PIP5K1C O60331 4/20 0.44

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
SCHEMBL15131799 0.90 PI4KA (0.48) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL807839 0.83 PRKDC (0.43) PIK3CAPIK3CB
SCHEMBL807826 0.83 PI4KA (0.45) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL807838 0.80 PIK3CA (0.44) PI4KBPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL10070633 0.79 PI4KA (0.46) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL807985 0.78 PIK3CA (0.45) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL807982 0.78 MET (0.45) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL15131809 0.76 PIK3CA (0.43) PI4KAPI4KBPIK3CAPIK3CDPIK3CB
SCHEMBL807973 0.74 ATM (0.41) PI4KBPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL807975 0.73 PRKDC (0.44) PIK3CB

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
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO disclosed