SCHEMBL4397010

SCHEMBL4397010

CN1CCN(Cc2ccc3c(N)ncnc3c2)C(=O)C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.61
HSP90AB1 P08238 5/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL1652172 0.87 F10 (0.73) F10
SCHEMBL4387460 0.87 F10 (0.65) F10HSP90AB1
SCHEMBL4391128 0.86 F10 (0.67) F10HSP90AB1
SCHEMBL4392437 0.83 F10 (0.58) F10
SCHEMBL4387598 0.82 F10 (0.63) F10
SCHEMBL7542716 0.82 F10 (0.56) F10MAP4K4
SCHEMBL1654324 0.81 F10 (0.64) F10HSP90AB1
SCHEMBL4397193 0.81 F10 (0.56) F10
SCHEMBL4397184 0.81 F10 (0.56) F10
SCHEMBL4397647 0.81 F10 (0.54) F10MAP4K4

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-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed