SCHEMBL11467366

SCHEMBL11467366

Cc1cccc(-c2cnc3c(O)ncnc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
PIK3CG P48736 4/20 0.48
KMO O15229 2/20 0.45
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ATR Q13535 2/20 0.41
IDO1 P14902 1/20 0.40
METAP2 P50579 1/20 0.40
ADK P55263 1/20 0.39
GRIN2B Q13224 1/20 0.39

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) PIK3CGKMOPIK3CAPIK3CBHDAC6
SCHEMBL11445170 0.83 PIK3CG (0.61) BCHEACHEPIK3CGPIK3CAPIK3CB
SCHEMBL3252241 0.82 PIK3CG (0.48) BCHEPIK3CGADK
Dimethylamine SCHEMBL11470117 0.80 PIK3CG (0.44) PIK3CGADK
SCHEMBL11470380 0.74 ADK (0.56) PIK3CGKMOADK
SCHEMBL11470116 0.73 ADK (0.71) PIK3CGADK
SCHEMBL3422110 0.71 IDO1 (0.58) BCHEACHEKMOATRIDO1
SCHEMBL4413423 0.71 BCHE (0.51) BCHEACHEKMOATRIDO1
SCHEMBL9146709 0.70 KDM4E (0.36) PIK3CGADK
SCHEMBL2126795 0.69 KMO (0.67) BCHEACHEPIK3CGKMOPIK3CA

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-4183934-A NONALIURETIC DIURETICS ABBOTT LABORATORIES (US) 1980-01-15 US disclosed