SCHEMBL16975283

SCHEMBL16975283

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.34
▸ CLK1 P49759 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL16975267 0.90 ABL1 (0.34) MTORABL1PIK3CD
SCHEMBL16975227 0.90 MTOR (0.36) MTORABL1
SCHEMBL16975323 0.89 BRD4 (0.38) MTOR
SCHEMBL16975328 0.89 MTOR (0.37) MTORSMN1; SMN2ABL1PIK3CDNPC1
SCHEMBL16975300 0.89 MTOR (0.37) MTORSMN1; SMN2ABL1PIK3CDNPC1
SCHEMBL16975329 0.88 JAK2 (0.37) MTORSMN1; SMN2ABL1PIK3CDNPC1
SCHEMBL16975299 0.88 HCAR1 (0.35) ABL1PIK3CA
SCHEMBL16975327 0.87 JAK2 (0.36) MTORSMN1; SMN2ABL1PIK3CDNPC1
SCHEMBL16975261 0.80 ABL1 (0.40) SMN1; SMN2ABL1PIK3CDNPC1RAB9A
SCHEMBL16975481 0.79 ABL1 (0.40) SMN1; SMN2ABL1PIK3CDNPC1RAB9A

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 2 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 disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 — — WO disclosed
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