SCHEMBL4766811

SCHEMBL4766811

[c]1nnc(-c2nncs2)o1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.31

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
SCHEMBL967548 0.71 PDPK1 (0.38) FBP1
SCHEMBL15173885 0.64 HPGDS (0.33) FBP1
SCHEMBL21547865 0.62 ACHE (0.41)
SCHEMBL21366258 0.58 PIK3CG (0.42)
SCHEMBL1002367 0.58 FBP1 (0.33) FBP1
SCHEMBL572719 0.57 PDPK1 (0.45)
SCHEMBL15174279 0.56 BCHE (0.39) FBP1
SCHEMBL9059095 0.56 ALDH1A1 (0.50)
SCHEMBL569960 0.56 NPC1 (0.48)
SCHEMBL9464747 0.54 FBP1 (0.33) FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613776-B2 Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US claimed
EP-1927594-A1 1,2,3-Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto such as diabetes and hyperglycemia Arena Pharmaceuticals, Inc. (US) 2008-06-04 EP disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO disclosed
US-5491123-A Herbicides containing 3-aminobenzo(B)thiophenes as antidotes BASF AKTIENGESELLSCHAFT (DE) 1996-02-13 US disclosed