SCHEMBL16975329

SCHEMBL16975329

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ MTOR P42345 1/20 0.36
▸ ABL1 P00519 3/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAK O14976 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ P2RY12 Q9H244 1/20 0.34

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
SCHEMBL16975323 0.92 BRD4 (0.38) JAK2BRD4MTOR
SCHEMBL16975328 0.92 MTOR (0.37) MTORABL1NPC1RAB9ASMN1; SMN2
SCHEMBL16975300 0.91 MTOR (0.37) MTORABL1NPC1RAB9ASMN1; SMN2
SCHEMBL16975327 0.90 JAK2 (0.36) JAK2BRD4MTORABL1NPC1
SCHEMBL16975227 0.89 MTOR (0.36) JAK2BRD4MTORABL1
SCHEMBL16975283 0.88 MTOR (0.34) MTORABL1NPC1RAB9ASMN1; SMN2
SCHEMBL16975299 0.87 HCAR1 (0.35) ABL1
SCHEMBL16975267 0.87 ABL1 (0.34) BRD4MTORABL1PIK3CD
SCHEMBL16975261 0.82 ABL1 (0.40) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL16975481 0.82 ABL1 (0.40) ABL1NPC1RAB9ASMN1; SMN2PIK3CD

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