SCHEMBL28827769

SCHEMBL28827769

C1=CN=C(c2ncncn2)NC=C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL28645287 0.81
SCHEMBL7215900 0.68 NISCH (0.37)
SCHEMBL28420034 0.65
SCHEMBL1809287 0.64
SCHEMBL373166 0.63 HSP90AA1 (0.50) HSP90AA1
SCHEMBL2175146 0.62
SCHEMBL29133784 0.62
SCHEMBL3542283 0.62
SCHEMBL1866401 0.62
SCHEMBL28913367 0.61

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-114828963-A Arylheterobicyclic compounds as Kv1.3 potassium SHAKER channel blockers D·E·萧尔研究有限责任公司 2022-07-29 CN disclosed