SCHEMBL304148

SCHEMBL304148

COc1cccc(-c2cnc(-c3cc(Nc4cccc5c4CCN([S+](C)[O-])C5)ccc3C)[nH]2)n1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 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
SCHEMBL305500 0.88 TNIK (0.34)
SCHEMBL304149 0.85 JAK2 (0.34) JAK2
SCHEMBL1922562 0.82 NPY5R (0.38)
SCHEMBL302220 0.81 NPY5R (0.35)
SCHEMBL1922064 0.77 METAP2 (0.32)
SCHEMBL305998 0.77 ACP1 (0.35)
SCHEMBL27935539 0.76 PIK3CA (0.35) JAK2
SCHEMBL302466 0.75 AR (0.34)
SCHEMBL305389 0.74 CARM1 (0.37)
SCHEMBL305501 0.73 TNIK (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500853-A 2012-01-12 JP claimed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP claimed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO claimed