SCHEMBL974173

SCHEMBL974173

CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4c(F)c(F)ccc4[nH]3)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.72
TEK Q02763 10/20 0.71
AURKB Q96GD4 12/20 0.55
AURKA O14965 8/20 0.55
TPX2 Q9ULW0 4/20 0.55
KDR P35968 6/20 0.54
LCK P06239 4/20 0.50

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
SCHEMBL973068 0.91 TEK (0.70) PDE10ATEKAURKBAURKATPX2
SCHEMBL973160 0.89 TEK (0.73) PDE10ATEKAURKBAURKATPX2
SCHEMBL974111 0.89 TEK (0.63) PDE10ATEKAURKBAURKATPX2
SCHEMBL973999 0.88 PDE10A (0.67) PDE10ATEKAURKBAURKATPX2
SCHEMBL974146 0.88 TEK (0.62) PDE10ATEKAURKBAURKATPX2
SCHEMBL974952 0.88 TEK (0.62) PDE10ATEKAURKBAURKATPX2
SCHEMBL974172 0.87 TEK (0.70) PDE10ATEKAURKBAURKATPX2
SCHEMBL972047 0.87 TEK (0.72) PDE10ATEKAURKBAURKATPX2
SCHEMBL973539 0.86 TEK (0.68) PDE10ATEKAURKBAURKATPX2
SCHEMBL974421 0.86 TEK (0.76) PDE10ATEKAURKBAURKATPX2

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-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US claimed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP claimed
EP-1994030-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2008-11-26 EP claimed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 WO claimed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP disclosed