SCHEMBL16975323

SCHEMBL16975323

CCNC(=O)Nc1nc2cc(-c3cnc(NS(=O)(=O)C(C)(C)C)nc3)cc(N3CCN(C)CC3)c2s1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.38
▸ JAK1 P23458 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ BRDT Q58F21 2/20 0.37
▸ MTOR P42345 1/20 0.36
▸ HCAR1 Q9BXC0 2/20 0.36
▸ JAK2 O60674 2/20 0.36

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
SCHEMBL16975328 0.94 MTOR (0.37) MTORHCAR1
SCHEMBL16975300 0.93 MTOR (0.37) MTORHCAR1
SCHEMBL16975227 0.92 MTOR (0.36) BRD4JAK3BRDTMTORHCAR1
SCHEMBL16975329 0.92 JAK2 (0.37) BRD4MTORJAK2
SCHEMBL16975327 0.91 JAK2 (0.36) BRD4JAK1JAK3BRDTMTOR
SCHEMBL16975299 0.90 HCAR1 (0.35) HCAR1
SCHEMBL16975283 0.89 MTOR (0.34) MTOR
SCHEMBL16975267 0.88 ABL1 (0.34) BRD4MTORHCAR1
SCHEMBL16975261 0.84 ABL1 (0.40) —
SCHEMBL16975481 0.83 ABL1 (0.40) —

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-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 — — EP claimed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 — — WO claimed
EP-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 — — EP disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 — — WO disclosed
Send feedback