SCHEMBL13638968

SCHEMBL13638968

C[C@H]1COCCN1c1nc(C(=O)O)co1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.50
PIK3CA P42336 7/20 0.42
MTOR P42345 6/20 0.41
PIK3C3 Q8NEB9 2/20 0.39
PIK3CD O00329 1/20 0.39
HTR3A P46098 2/20 0.38

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
SCHEMBL13634339 0.83 HTR3A (0.41) IRAK4PIK3CAMTORHTR3A
SCHEMBL13163110 0.80 PDK1 (0.39) IRAK4MTORHTR3A
SCHEMBL24375508 0.79 IRAK4 (0.40) IRAK4PIK3CAMTORPIK3C3PIK3CD
SCHEMBL24375557 0.79 IRAK4 (0.40) IRAK4PIK3CAMTORPIK3C3PIK3CD
SCHEMBL2079853 0.75 KMO (0.49) IRAK4PIK3CAPIK3CD
SCHEMBL20594891 0.75 IRAK4 (0.51) IRAK4PIK3CAMTORPIK3C3
SCHEMBL10278349 0.75 IRAK4 (0.51) IRAK4PIK3CAMTORPIK3C3
SCHEMBL20797900 0.74 ATR (0.44) PIK3CAMTORPIK3C3PIK3CD
SCHEMBL20797898 0.74 ATR (0.44) PIK3CAMTORPIK3C3PIK3CD
SCHEMBL29021137 0.74 ATR (0.44) PIK3CAMTORPIK3C3PIK3CD

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed