SCHEMBL971779

SCHEMBL971779

CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4n3CCCN(C)C)c3ccccc23)n1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TEK Q02763 15/20 0.76
KDR P35968 14/20 0.76
AURKA O14965 12/20 0.58
LCK P06239 12/20 0.58
AURKB Q96GD4 12/20 0.58
MAPK10 P53779 5/20 0.56
ERN1 O75460 4/20 0.56

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
SCHEMBL974129 0.95 TEK (0.78) TEKKDRAURKALCKAURKB
SCHEMBL971610 0.74 TEK (1.00) TEKKDRAURKALCKAURKB
SCHEMBL973707 0.74 TEK (0.85) TEKKDRAURKALCKAURKB
SCHEMBL974586 0.73 TEK (1.00) TEKKDRAURKALCKAURKB
SCHEMBL973870 0.73 TEK (1.00) TEKKDRAURKALCKAURKB
SCHEMBL972856 0.71 TEK (0.71) TEKKDRAURKALCKAURKB
SCHEMBL5263752 0.71 AURKB (0.79) TEKKDRAURKALCKAURKB
SCHEMBL974793 0.70 TEK (0.70) TEKKDRAURKALCKAURKB
SCHEMBL973163 0.69 TEK (1.00) TEKKDRAURKALCKAURKB
SCHEMBL24439393 0.69 TEK (0.62) 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