SCHEMBL974493

SCHEMBL974493

CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 1.00
AURKB Q96GD4 8/20 0.70
AURKA O14965 7/20 0.70
KDR P35968 6/20 0.70
LCK P06239 4/20 0.70
PDE10A Q9Y233 4/20 0.65
TPX2 Q9ULW0 3/20 0.59
MAPK10 P53779 2/20 0.55
ERN1 O75460 1/20 0.55

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
SCHEMBL974394 0.89 TEK (0.80) TEKAURKBAURKAKDRLCK
SCHEMBL976060 0.89 TEK (0.79) TEKAURKBAURKAKDRLCK
SCHEMBL974780 0.88 TEK (0.79) TEKAURKBAURKAKDRLCK
SCHEMBL2904459 0.88 TEK (0.79) TEKAURKBAURKAKDRLCK
SCHEMBL973651 0.88 TEK (0.79) TEKAURKBAURKAKDRLCK
SCHEMBL973869 0.88 TEK (0.79) TEKAURKBAURKAKDRLCK
SCHEMBL974466 0.87 TEK (1.00) TEKAURKBAURKAKDRLCK
SCHEMBL973066 0.87 TEK (0.77) TEKAURKBAURKAKDRLCK
SCHEMBL972826 0.87 TEK (0.77) TEKAURKBAURKAKDRLCK
SCHEMBL973907 0.87 TEK (0.77) TEKAURKBAURKAKDRLCK

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