SCHEMBL973511

SCHEMBL973511

Cc1cc(Nc2nc3c(C)cccc3o2)ccc1Oc1ncccc1-c1ccncn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TEK Q02763 8/20 0.44
KDR P35968 7/20 0.44
PDE10A Q9Y233 1/20 0.42
AURKA O14965 5/20 0.41
AURKB Q96GD4 5/20 0.41
TPX2 Q9ULW0 4/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL974853 0.89 TEK (0.52) TEKKDRPDE10AAURKAAURKB
SCHEMBL972110 0.86 TEK (0.44) TEKKDRPDE10AAURKAAURKB
SCHEMBL972822 0.86 TEK (0.44) TEKKDRPDE10AAURKAAURKB
SCHEMBL973570 0.82 TEK (0.44) TEKKDRPDE10AAURKAAURKB
SCHEMBL973159 0.75 TEK (0.71) TEKKDRAURKAAURKBTPX2
SCHEMBL5262512 0.75 KDR (0.58) TEKKDRPDE10AAURKAAURKB
SCHEMBL972423 0.72 TEK (0.48) TEKKDRPDE10AAURKAAURKB
SCHEMBL1265159 0.72 KDR (0.72) TEKKDRAURKAAURKBTPX2
SCHEMBL1266363 0.72 TEK (0.67) TEKKDRAURKAAURKBTPX2
SCHEMBL1266076 0.72 KDR (0.49) TEKKDRPDE10AAURKAAURKB

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