SCHEMBL16497610

SCHEMBL16497610

O=C(O)c1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.81
MAPK13 O15264 11/20 0.81
MAPK12 P53778 11/20 0.81
MAPK11 Q15759 11/20 0.81
ALOX5 P09917 2/20 0.81
TGFBR1 P36897 1/20 0.81
KDM4E B2RXH2 4/20 0.80
ALDH1A1 P00352 3/20 0.80
GLA P06280 3/20 0.80
GAA P10253 3/20 0.80
HPGD P15428 3/20 0.80
KMT2A Q03164 3/20 0.80
RAF1 P04049 7/20 0.76
MEN1 O00255 2/20 0.76
CSNK1D P48730 1/20 0.76
CSNK1E P49674 1/20 0.76
MAPK9 P45984 1/20 0.76
BRAF P15056 3/20 0.73
MAPT P10636 2/20 0.71
CYP1A2 P05177 1/20 0.71

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
SCHEMBL2593317 0.93 KDM4E (0.91) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL413667 0.90 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL29103864 0.89 KDM4E (0.83) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL2949385 0.87 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7228717 0.87 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL2148151 0.87 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL12561579 0.87 KDM4E (0.76) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL17002188 0.87 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL29642733 0.86 KDM4E (1.00) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL12561695 0.86 KDM4E (0.80) MAPK14MAPK13MAPK12MAPK11ALOX5

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
WO-2011038261-A1 HETEROCYCLIC KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-03-31 WO disclosed
WO-2011038261-A1 HETEROCYCLIC KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-03-31 WO disclosed