SCHEMBL1922064

SCHEMBL1922064

Cc1ccc(Nc2cccc3c2CCN([S+](C)[O-])C3)cc1-c1nc2ncncc2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
NPY5R Q15761 1/20 0.31
BRD4 O60885 1/20 0.31
BRD9 Q9H8M2 1/20 0.31

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
SCHEMBL304973 0.84 JAK3 (0.36) METAP2METAP1BRD4BRD9
SCHEMBL1922562 0.79 NPY5R (0.38) NPY5R
SCHEMBL304148 0.77 JAK2 (0.33)
SCHEMBL302220 0.76 NPY5R (0.35) NPY5R
SCHEMBL305389 0.76 CARM1 (0.37) BRD4BRD9
SCHEMBL302466 0.76 AR (0.34) BRD4BRD9
SCHEMBL305500 0.75 TNIK (0.34) BRD4
SCHEMBL305998 0.74 ACP1 (0.35)
SCHEMBL2027187 0.71 JAK2 (0.35)
SCHEMBL304002 0.70 CARM1 (0.37) BRD4BRD9

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-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO disclosed