SCHEMBL973578

SCHEMBL973578

CNc1nccc(-c2cccnc2Sc2ccc(Nc3nc4ccccc4[nH]3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.68
KDR P35968 7/20 0.56
AURKA O14965 5/20 0.56
LCK P06239 5/20 0.56
AURKB Q96GD4 5/20 0.56
PDE10A Q9Y233 4/20 0.45
MAPK10 P53779 4/20 0.44
ERN1 O75460 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL972889 0.83 PDE10A (0.54) TEKKDRAURKALCKAURKB
SCHEMBL14433685 0.81 DYRK1A (0.44) TEKKDRAURKALCKAURKB
SCHEMBL974493 0.81 TEK (1.00) TEKKDRAURKALCKAURKB
SCHEMBL976060 0.79 TEK (0.79) TEKKDRAURKALCKAURKB
SCHEMBL973869 0.77 TEK (0.79) TEKKDRAURKALCKAURKB
SCHEMBL974466 0.76 TEK (1.00) TEKKDRAURKALCKAURKB
SCHEMBL581746 0.76 DYRK1A (0.43) TEKKDRAURKALCKAURKB
SCHEMBL974060 0.76 TEK (0.82) TEKKDRAURKALCKAURKB
SCHEMBL1265675 0.75 KDR (0.60) TEKKDRAURKALCKAURKB
SCHEMBL972469 0.75 TEK (0.75) TEKKDRAURKALCKAURKB

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