SCHEMBL974057

SCHEMBL974057

CN(C)CCCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4cc(F)c(F)cc4[nH]3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TEK Q02763 9/20 0.58
MAPK10 P53779 4/20 0.54
ERN1 O75460 3/20 0.54
KDR P35968 5/20 0.47
AURKB Q96GD4 6/20 0.45
PDE10A Q9Y233 4/20 0.45
AURKA O14965 4/20 0.45
LCK P06239 3/20 0.45
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK1G2 P78368 1/20 0.41
TPX2 Q9ULW0 1/20 0.41

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
SCHEMBL976103 0.98 TEK (0.57) TEKMAPK10ERN1KDRAURKB
SCHEMBL973156 0.97 TEK (0.56) TEKMAPK10ERN1KDRAURKB
SCHEMBL973731 0.97 TEK (0.56) TEKMAPK10ERN1KDRAURKB
SCHEMBL974787 0.91 TEK (0.54) TEKMAPK10ERN1KDRAURKB
SCHEMBL974459 0.86 TEK (0.54) TEKMAPK10ERN1KDRAURKB
SCHEMBL972826 0.86 TEK (0.77) TEKKDRAURKBPDE10AAURKA
SCHEMBL974107 0.84 TEK (0.52) TEKMAPK10ERN1KDRAURKB
SCHEMBL974134 0.84 TEK (0.52) TEKMAPK10ERN1KDRAURKB
SCHEMBL975223 0.82 TEK (0.61) TEKKDRAURKBPDE10AAURKA
SCHEMBL971968 0.80 TEK (0.59) TEKKDRAURKBPDE10AAURKA

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 4 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