SCHEMBL3161685

SCHEMBL3161685

COc1ccc2nccc(-c3cn(CCCNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)nn3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
GFER P55789 1/20 0.39
HTR7 P34969 2/20 0.36
HTR6 P50406 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL1379484 0.81 KMT2A (0.53) KMT2AATMGFERPOLB
SCHEMBL4070565 0.79 HTR7 (0.45) KMT2AATMGFERHTR7HTR6
SCHEMBL4720275 0.79 CCR8 (0.41) KMT2AATMGFER
SCHEMBL4717181 0.79 CCR8 (0.41) KMT2AATMGFER
SCHEMBL4069110 0.77 HTR7 (0.43) KMT2AATMGFERHTR7HTR6
Hydrochloric Acid SCHEMBL4064063 0.76 HTR7 (0.43) KMT2AATMGFERHTR7HTR6
SCHEMBL4065150 0.76 ATM (0.44) KMT2AATMGFERPOLB
SCHEMBL4065505 0.75 KMT2A (0.42) KMT2AATMGFERPOLB
SCHEMBL3171788 0.74 KMT2A (0.41) KMT2AATMGFERPOLB
SCHEMBL3162871 0.73 ATM (0.41) KMT2AATMGFERPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560821-B1 ANTIBACTERIAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-03-24 EP claimed
EP-1560821-B1 ANTIBACTERIAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-03-24 EP disclosed
US-7232832-B2 Antibacterial agents SMITHKLINE BEECHAM CORPORATION (US) 2007-06-19 US disclosed
US-7232832-B2 Antibacterial agents SMITHKLINE BEECHAM CORPORATION (US) 2007-06-19 US disclosed