SCHEMBL13457643

SCHEMBL13457643

Oc1cccc2nc(Br)nn12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
NUDT1 P36639 3/20 0.36
EGLN2 Q96KS0 3/20 0.34
CYP11B2 P19099 1/20 0.33
JAK1 P23458 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL13390440 0.76 CYP11B2 (0.53) AHRCYP11B2
SCHEMBL25074680 0.76 AHR (0.39) AHRNUDT1CYP11B2KMT2A
SCHEMBL2252581 0.76 NUDT1 (0.65) AHRNUDT1EGLN2JAK1
SCHEMBL3300152 0.76 AHR (0.36) AHRNUDT1CYP11B2KMT2A
SCHEMBL3299884 0.74 HDAC4 (0.37) AHRNUDT1JAK1KMT2A
SCHEMBL2252969 0.72 EGLN2 (0.54) AHRNUDT1EGLN2JAK1
SCHEMBL3302899 0.72 AHR (0.36) AHRNUDT1CYP11B2
SCHEMBL12078961 0.69 AHR (0.34) AHRCYP11B2
SCHEMBL3306690 0.68 AHR (0.31) AHR
SCHEMBL21306411 0.67 L3MBTL1 (0.41) AHRKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed