SCHEMBL11446157

SCHEMBL11446157

Nc1ncnc2nc(-c3cccc(Cl)c3)cnc12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.61
PIK3CG P48736 4/20 0.61
ADK P55263 3/20 0.54
CLK1 P49759 1/20 0.49
DHFR P00374 1/20 0.47
ATR Q13535 1/20 0.46

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
SCHEMBL11478905 0.83 PIK3CG (0.48) MAP4K4PIK3CGADKCLK1ATR
SCHEMBL11445170 0.83 PIK3CG (0.61) MAP4K4PIK3CGADKATR
SCHEMBL11446163 0.82 ADK (0.67) PIK3CGADK
SCHEMBL5321714 0.76 ATR (0.55) MAP4K4PIK3CGDHFRATR
SCHEMBL15587270 0.76 MAP4K4 (1.00) MAP4K4
SCHEMBL3745255 0.76 PIK3CG (1.00) PIK3CGADK
SCHEMBL22715806 0.75 PIK3CG (0.61) MAP4K4PIK3CGADK
SCHEMBL29439870 0.75 PIK3CG (0.61) MAP4K4PIK3CGADK
SCHEMBL5991130 0.75 DHFR (0.53) MAP4K4DHFRATR
SCHEMBL3742485 0.74 PIK3CG (0.72) PIK3CGADK

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
US-4187307-A 4-AMINOPTERIDINES ABBOTT LABORATORIES (US) 1980-02-05 US disclosed