SCHEMBL1727320

SCHEMBL1727320

Cc1cn(C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
TYMP P19971 1/20 0.58
TK1 P04183 2/20 0.58
BCHE P06276 1/20 0.56

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
SCHEMBL6077816 1.00 POLB (0.58) POLBTYMPTK1BCHE
SCHEMBL1727537 1.00 POLB (0.58) POLBTYMPTK1BCHE
SCHEMBL5053953 1.00 POLB (0.58) POLBTYMPTK1BCHE
SCHEMBL6334503 1.00 POLB (0.58) POLBTYMPTK1BCHE
SCHEMBL10446716 1.00 POLB (0.58) POLBTYMPTK1BCHE
SCHEMBL22984023 0.94 TYMS (0.56) POLBTYMPTK1
SCHEMBL23517951 0.94 TYMS (0.56) POLBTYMPTK1
SCHEMBL2460807 0.94 TYMS (0.56) POLBTYMPTK1
SCHEMBL22983972 0.94 TYMS (0.56) POLBTYMPTK1
SCHEMBL1775528 0.94 TYMS (0.56) POLBTYMPTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120100227-A1 KINASE PROTEIN BINDING INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-04-26 US claimed
EP-2403494-A2 KINASE PROTEIN BINDING INHIBITORS University of Florida Research Foundation, Inc. (US) 2012-01-11 EP claimed
WO-2010102095-A2 KINASE PROTEIN BINDING INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-09-10 WO claimed
US-20120100227-A1 KINASE PROTEIN BINDING INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-04-26 US disclosed
EP-2403494-A2 KINASE PROTEIN BINDING INHIBITORS University of Florida Research Foundation, Inc. (US) 2012-01-11 EP disclosed
WO-2010102095-A2 KINASE PROTEIN BINDING INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-09-10 WO disclosed