SCHEMBL4717181

SCHEMBL4717181

COc1ccc2nccc([C@H]3CN(CCCNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.41
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
GFER P55789 1/20 0.38

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
SCHEMBL4720275 1.00 CCR8 (0.41) CCR8KMT2AATMGFER
SCHEMBL3936163 0.88 CCR8 (0.39) CCR8KMT2AATMGFER
SCHEMBL4719742 0.88 CCR8 (0.39) CCR8KMT2AATMGFER
SCHEMBL4718978 0.87 CCR8 (0.54) CCR8KMT2AATM
SCHEMBL4716229 0.87 CCR8 (0.42) CCR8
SCHEMBL4718843 0.83 CCR8 (0.42) CCR8KMT2AATMGFER
SCHEMBL4716876 0.83 PKM (0.45) CCR8
SCHEMBL3918455 0.81 CCR8 (0.49) CCR8
SCHEMBL4720019 0.81 CCR8 (0.53) CCR8KMT2A
SCHEMBL3161685 0.79 KMT2A (0.41) KMT2AATMGFER

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-1567520-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2008-10-15 EP claimed