SCHEMBL30689642

SCHEMBL30689642

CC/C=C/c1cnc(C)c(CCC)n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL23736206 1.00 HSP90AA1 (0.31) HSP90AA1
SCHEMBL23736208 1.00 HSP90AA1 (0.31) HSP90AA1
SCHEMBL30689655 0.72 HSP90AA1 (0.36) HSP90AA1
SCHEMBL10307332 0.72 HSP90AA1 (0.36) HSP90AA1
SCHEMBL511539 0.71 NOS3 (0.37) HSP90AA1
SCHEMBL5230567 0.69 MAPKAPK2 (0.40) HSP90AA1
SCHEMBL5228304 0.69 HSP90AA1 (0.37) HSP90AA1
SCHEMBL16826886 0.69 RAB9A (0.51)
SCHEMBL16826884 0.69 RAB9A (0.51)
SCHEMBL30689651 0.69 NOS3 (0.30)

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-110637012-B Method for selectively forming substituted pyrazines R.J.雷诺兹烟草公司 2023-11-24 CN claimed