SCHEMBL27878419

SCHEMBL27878419

CC(=CN)c1ncncn1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 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
SCHEMBL13934129 0.78 HSP90AA1 (0.32) HSP90AA1
SCHEMBL8623916 0.73 HSP90AA1 (0.43) HSP90AA1
SCHEMBL28633713 0.67
SCHEMBL147228 0.67
Acetic Acid SCHEMBL7978635 0.62 NQO2 (0.37) HSP90AA1
SCHEMBL795730 0.62
SCHEMBL10881745 0.60 L3MBTL1 (0.30)
SCHEMBL9723365 0.60 HSP90AA1 (0.33) HSP90AA1
SCHEMBL1961155 0.60 HSP90AA1 (0.38) HSP90AA1
SCHEMBL366002 0.58

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-102573487-A Pyridyl-triazine inhibitors of Hedgehog signaling ABRAXIS BIOSCIENCE LLC 2012-07-11 CN disclosed