SCHEMBL973066

SCHEMBL973066

CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)n1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.77
KDR P35968 6/20 0.59
AURKB Q96GD4 11/20 0.55
AURKA O14965 7/20 0.55
LCK P06239 4/20 0.55
TPX2 Q9ULW0 3/20 0.54
PDE10A Q9Y233 3/20 0.49

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
SCHEMBL973273 0.94 TEK (0.74) TEKKDRAURKBAURKALCK
SCHEMBL973024 0.93 TEK (0.73) TEKKDRAURKBAURKALCK
SCHEMBL2904459 0.90 TEK (0.79) TEKKDRAURKBAURKALCK
SCHEMBL972826 0.90 TEK (0.77) TEKKDRAURKBAURKALCK
SCHEMBL974394 0.88 TEK (0.80) TEKKDRAURKBAURKALCK
SCHEMBL974493 0.87 TEK (1.00) TEKKDRAURKBAURKALCK
SCHEMBL974780 0.87 TEK (0.79) TEKKDRAURKBAURKALCK
SCHEMBL973907 0.85 TEK (0.77) TEKKDRAURKBAURKALCK
SCHEMBL973651 0.85 TEK (0.79) TEKKDRAURKBAURKALCK
SCHEMBL973866 0.85 TEK (0.75) TEKKDRAURKBAURKALCK

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