SCHEMBL972047

SCHEMBL972047

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

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.72
KDR P35968 6/20 0.58
AURKB Q96GD4 12/20 0.55
AURKA O14965 8/20 0.55
TPX2 Q9ULW0 5/20 0.55
PDE10A Q9Y233 1/20 0.55
LCK P06239 3/20 0.54

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
SCHEMBL974421 0.90 TEK (0.76) TEKKDRAURKBAURKATPX2
SCHEMBL974173 0.87 PDE10A (0.72) TEKKDRAURKBAURKATPX2
SCHEMBL2904459 0.85 TEK (0.79) TEKKDRAURKBAURKATPX2
SCHEMBL974394 0.84 TEK (0.80) TEKKDRAURKBAURKATPX2
SCHEMBL974493 0.84 TEK (1.00) TEKKDRAURKBAURKATPX2
SCHEMBL974172 0.83 TEK (0.70) TEKKDRAURKBAURKATPX2
SCHEMBL973068 0.83 TEK (0.70) TEKKDRAURKBAURKATPX2
SCHEMBL973907 0.82 TEK (0.77) TEKKDRAURKBAURKATPX2
SCHEMBL973273 0.82 TEK (0.74) TEKKDRAURKBAURKATPX2
SCHEMBL974780 0.82 TEK (0.79) TEKKDRAURKBAURKATPX2

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