SCHEMBL2343015

SCHEMBL2343015

CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)C(C)(C)C)c2nc(Cl)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2nc(Cl)cnc21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 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
SCHEMBL650554 0.93
SCHEMBL651364 0.86 BRD4 (0.38) BRD4
SCHEMBL651372 0.79
SCHEMBL1053839 0.62 BRD4 (0.36) BRD4
SCHEMBL28950837 0.60 NPC1 (0.35)
SCHEMBL1886933 0.58 BRD4 (0.39) BRD4
SCHEMBL30078248 0.58 BRD4 (0.39) BRD4
SCHEMBL28735180 0.57
SCHEMBL2317665 0.57 BRD4 (0.31) BRD4
SCHEMBL14722341 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
EP-2247593-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
WO-2009106444-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed