SCHEMBL973288

SCHEMBL973288

c1cnc(Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)c(-c2ccnc(NCCCn3ccnn3)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.75
ERN1 O75460 7/20 0.75
TEK Q02763 12/20 0.69
KDR P35968 9/20 0.69
AURKA O14965 7/20 0.69
LCK P06239 7/20 0.69
AURKB Q96GD4 7/20 0.69

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
SCHEMBL975952 0.89 MAPK10 (0.77) MAPK10ERN1TEKKDRAURKA
SCHEMBL973648 0.88 MAPK10 (0.76) MAPK10ERN1TEKKDRAURKA
SCHEMBL974406 0.83 MAPK10 (0.75) MAPK10ERN1TEKKDRAURKA
SCHEMBL973870 0.82 TEK (1.00) MAPK10ERN1TEKKDRAURKA
SCHEMBL974094 0.81 TEK (1.00) MAPK10ERN1TEKKDRAURKA
SCHEMBL973150 0.79 TEK (1.00) MAPK10ERN1TEKKDRAURKA
SCHEMBL973093 0.78 TEK (1.00) MAPK10ERN1TEKKDRAURKA
SCHEMBL973994 0.78 MAPK10 (0.84) MAPK10ERN1TEKKDRAURKA
SCHEMBL973703 0.78 TEK (0.87) MAPK10ERN1TEKKDRAURKA
SCHEMBL972319 0.77 TEK (0.77) MAPK10ERN1TEKKDRAURKA

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