SCHEMBL28046994

SCHEMBL28046994

Cc1nc(N)ccc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.59
MTOR P42345 9/20 0.57
PIK3R1 P27986 4/20 0.56
PIK3CB P42338 2/20 0.56
PIK3CD O00329 1/20 0.56
PIK3C2B O00750 1/20 0.56
AKR1C3 P42330 1/20 0.56
PIK3CG P48736 1/20 0.56
PRKDC P78527 1/20 0.56
PIK3C3 Q8NEB9 1/20 0.56
PIK3R5 Q8WYR1 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
MAP3K12 Q12852 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.49
HRH4 Q9H3N8 1/20 0.49

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
SCHEMBL10328300 0.85 PIK3CA (0.61) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL1311057 0.85 CRHBP (0.47) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL28046969 0.82 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL15334730 0.82 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL28047097 0.82 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL1309988 0.82 CRHBP (0.51) PIK3CAMTORPIK3R1MAP3K12KMT2A
SCHEMBL16035197 0.81 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL1311434 0.80 PIK3CA (0.65) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL19461018 0.80 PIK3CA (0.68) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL15946943 0.79 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CBPIK3CD

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
CN-105541792-A Polycyclic PI3K inhibitors XUANZHU PHARMA CO LTD 2016-05-04 CN disclosed