SCHEMBL30009040

SCHEMBL30009040

[2H]n1ncc2c(NOC)cc(Cl)nc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.33
PAK4 O96013 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
SCHEMBL30009075 0.75
SCHEMBL30009126 0.74 PLK4 (0.45) PLK4PAK4
SCHEMBL28412117 0.68 AXL (0.42) PLK4PAK4
SCHEMBL30682133 0.68 AXL (0.42) PLK4PAK4
SCHEMBL30008432 0.63 PLK4 (0.33) PLK4PAK4
SCHEMBL20389659 0.61 PLK4 (0.48) PLK4PAK4
SCHEMBL31555833 0.61 PLK4 (0.41) PLK4PAK4
SCHEMBL29882851 0.61 PLK4 (0.48) PLK4PAK4
SCHEMBL9316067 0.61 S1PR2 (0.40)
SCHEMBL14767818 0.61 KDM4E (0.55) PLK4PAK4

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
WO-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 WO disclosed