SCHEMBL302854

SCHEMBL302854

Cc1c(CN(C)C)cc(Nc2cccc3c2CCN([S+](C)[O-])C3)cc1-c1ccc(F)cn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
BRD9 Q9H8M2 1/20 0.32

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
SCHEMBL302855 0.85 PTGDR2 (0.41) BRD4BRD9
SCHEMBL303311 0.69 PTGDR2 (0.43) BRD4BRD9
SCHEMBL302466 0.68 AR (0.34) BRD4BRD9
SCHEMBL303148 0.68 JAK2 (0.44) BRD4BRD9
SCHEMBL304286 0.68 P2RY1 (0.38) BRD4BRD9
SCHEMBL304178 0.67 P2RY1 (0.38) BRD4BRD9
SCHEMBL304351 0.67 CARM1 (0.38) BRD4BRD9
SCHEMBL21819922 0.66 CARM1 (0.49)
SCHEMBL1921911 0.66 JAK2 (0.37) BRD4BRD9
SCHEMBL303279 0.66 CARM1 (0.49)

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