SCHEMBL972822

SCHEMBL972822

Cc1ccc2oc(Nc3ccc(Oc4ncccc4-c4ccncn4)c(C)c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TEK Q02763 6/20 0.44
PDE10A Q9Y233 1/20 0.43
KDR P35968 5/20 0.43
AURKA O14965 3/20 0.43
AURKB Q96GD4 3/20 0.43
LCK P06239 1/20 0.43
TPX2 Q9ULW0 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL972110 0.93 TEK (0.44) TEKPDE10AKDRAURKAAURKB
SCHEMBL974853 0.91 TEK (0.52) TEKPDE10AKDRAURKAAURKB
SCHEMBL973570 0.88 TEK (0.44) TEKPDE10AKDRAURKAAURKB
SCHEMBL973511 0.86 TEK (0.44) TEKPDE10AKDRAURKAAURKB
SCHEMBL973159 0.77 TEK (0.71) TEKKDRAURKAAURKBLCK
SCHEMBL5262512 0.73 KDR (0.58) TEKPDE10AKDRAURKAAURKB
SCHEMBL972423 0.71 TEK (0.48) TEKPDE10AKDRAURKAAURKB
SCHEMBL1265159 0.71 KDR (0.72) TEKKDRAURKAAURKBLCK
SCHEMBL1266363 0.70 TEK (0.67) TEKKDRAURKAAURKBLCK
SCHEMBL1266076 0.70 KDR (0.49) TEKPDE10AKDRAURKAAURKB

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
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 disclosed