SCHEMBL13457590

SCHEMBL13457590

Bc1nc2cccc(Br)n2n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.56
▸ CYP11B2 P19099 1/20 0.36
▸ NUDT1 P36639 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
SCHEMBL3303841 0.81 AHR (0.58) AHRCYP11B2NUDT1
SCHEMBL28530395 0.78 AHR (0.54) AHRCYP11B2NUDT1
SCHEMBL30676207 0.73 AHR (0.78) AHRCYP11B2NUDT1
SCHEMBL30601204 0.72 AHR (1.00) AHRCYP11B2
SCHEMBL18341116 0.72 AHR (0.49) AHRCYP11B2NUDT1
SCHEMBL7851628 0.72 AHR (0.49) AHRCYP11B2
SCHEMBL28485655 0.71 AHR (0.47) AHRCYP11B2NUDT1
SCHEMBL13457591 0.71 NUDT1 (0.34) AHRNUDT1
SCHEMBL3266110 0.70 JAK2 (0.55) AHR
SCHEMBL2185953 0.68 EGLN2 (0.57) AHR

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-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 — — WO disclosed
Send feedback