SCHEMBL3362894

SCHEMBL3362894

CN(c1nc2c(cc1Br)SCC(=O)N2)C1CCN(CC2Cn3c(=O)ccc4ccc(=O)n2c43)CC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
TOP2A P11388 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
SCHEMBL3362817 0.81 TOP2A (0.40) PDE3BPDE3ATOP2A
Hydrochloric Acid SCHEMBL3366759 0.81 TOP2A (0.40) PDE3BPDE3ATOP2A
SCHEMBL21372291 0.75 TOP2A (0.40) PDE3BPDE3ATOP2A
SCHEMBL13299225 0.75 TOP2A (0.40) PDE3BPDE3ATOP2A
SCHEMBL13114364 0.73 TOP2A (0.43) TOP2A
SCHEMBL3331529 0.70 TOP2A (0.40) TOP2A
Hydrochloric Acid SCHEMBL3329341 0.69 TOP2A (0.40) TOP2A
SCHEMBL335658 0.66 TOP2A (0.38) TOP2A
SCHEMBL1433499 0.66 TOP2A (0.38) TOP2A
SCHEMBL12746550 0.66 TOP2A (0.36) TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137196-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-06 EP claimed