SCHEMBL973989

SCHEMBL973989

CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c(C)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 1.00
KDR P35968 7/20 0.73
AURKB Q96GD4 6/20 0.73
AURKA O14965 5/20 0.73
LCK P06239 5/20 0.73
MAPK10 P53779 8/20 0.58
ERN1 O75460 7/20 0.58

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
SCHEMBL974493 0.87 TEK (1.00) TEKKDRAURKBAURKALCK
SCHEMBL972862 0.86 TEK (1.00) TEKKDRAURKBAURKALCK
SCHEMBL974589 0.85 TEK (1.00) TEKKDRAURKBAURKALCK
SCHEMBL973870 0.84 TEK (1.00) TEKKDRAURKBAURKALCK
SCHEMBL974466 0.83 TEK (1.00) TEKKDRAURKBAURKALCK
SCHEMBL973703 0.83 TEK (0.87) TEKKDRAURKBAURKALCK
SCHEMBL2904459 0.81 TEK (0.79) TEKKDRAURKBAURKALCK
SCHEMBL974394 0.80 TEK (0.80) TEKKDRAURKBAURKALCK
SCHEMBL972469 0.80 TEK (0.75) TEKKDRAURKBAURKALCK
SCHEMBL974060 0.79 TEK (0.82) 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 5 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 claimed
EP-1994030-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2008-11-26 EP claimed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 WO claimed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP disclosed