SCHEMBL28162009

SCHEMBL28162009

O=[SH](=O)Cc1ccncc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.51
PIK3CA P42336 10/20 0.49
MAP3K12 Q12852 1/20 0.46
PIK3R1 P27986 4/20 0.45
PIK3CB P42338 3/20 0.45
PIK3CD O00329 1/20 0.45
PIK3C2B O00750 1/20 0.45
AKR1C3 P42330 1/20 0.45
PIK3CG P48736 1/20 0.45
PRKDC P78527 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
PIK3R5 Q8WYR1 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
KMT2A Q03164 1/20 0.42

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
SCHEMBL28301842 0.79 MTOR (0.57) MTORPIK3CAMAP3K12PIK3R1PIK3CB
SCHEMBL28166663 0.77 PIK3CA (0.67) MTORPIK3CAMAP3K12PIK3R1PIK3CB
SCHEMBL28162008 0.77 MTOR (0.52) MTORPIK3CAMAP3K12PIK3R1PIK3CB
SCHEMBL27796330 0.76 MTOR (0.67) MTORPIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL28161448 0.74 PIK3CA (0.67) MTORPIK3CAMAP3K12PIK3CBPIK3CG
SCHEMBL9003193 0.68 KMT2A (0.76) MTORPIK3CAMAP3K12PIK3CBKMT2A
SCHEMBL15789552 0.67 PIK3CA (0.63) MTORPIK3CAMAP3K12PIK3R1PIK3CB
SCHEMBL16035197 0.66 PIK3CA (0.59) MTORPIK3CAMAP3K12PIK3R1PIK3CB
SCHEMBL10327997 0.66 PIK3CA (1.00) MTORPIK3CAMAP3K12PIK3R1PIK3CB
SCHEMBL13016719 0.66 PIK3CA (0.78) MTORPIK3CAMAP3K12PIK3R1PIK3CB

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-107001317-A High selectivity substituted uracil PI3K inhibitor 山东轩竹医药科技有限公司 2017-08-01 CN disclosed