SCHEMBL16975327

SCHEMBL16975327

CCNC(=O)Nc1nc2cc(-c3cnc(NS(=O)(=O)C(C)(C)C)nc3)cc(N3CCNCC3)c2s1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.36
▸ BRD4 O60885 5/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ BRD2 P25440 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ BRD3 Q15059 2/20 0.36
▸ BRDT Q58F21 2/20 0.36
▸ ABL1 P00519 3/20 0.36
▸ MTOR P42345 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIK3CD O00329 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
SCHEMBL16975328 0.93 MTOR (0.37) ABL1MTORNPC1RAB9ASMN1; SMN2
SCHEMBL16975300 0.92 MTOR (0.37) ABL1MTORNPC1RAB9ASMN1; SMN2
SCHEMBL16975323 0.91 BRD4 (0.38) JAK2BRD4JAK1JAK3BRDT
SCHEMBL16975329 0.90 JAK2 (0.37) JAK2BRD4ABL1MTORNPC1
SCHEMBL16975227 0.88 MTOR (0.36) JAK2BRD4BRD2JAK3BRD3
SCHEMBL16975283 0.87 MTOR (0.34) ABL1MTORNPC1RAB9ASMN1; SMN2
SCHEMBL16975299 0.86 HCAR1 (0.35) ABL1
SCHEMBL16975353 0.86 JAK2 (0.35) JAK2BRD4JAK1BRD2JAK3
SCHEMBL16975267 0.86 ABL1 (0.34) BRD4ABL1MTORPIK3CD
SCHEMBL16975318 0.85 MTOR (0.33) ABL1MTOR

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
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