SCHEMBL5115022

SCHEMBL5115022

COc1c(NC(=O)c2cc3cccc(Oc4ccnc(N(C)CCN(C)C)n4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.49
MAPK14 Q16539 15/20 0.49
GSK3A P49840 13/20 0.49
SRC P12931 10/20 0.49
SYK P43405 10/20 0.49
CYP3A4 P08684 1/20 0.44

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
SCHEMBL14276141 0.92 MAPK14 (0.50) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL14276173 0.91 MAPK14 (0.49) BRAFMAPK14GSK3ASRCSYK
SCHEMBL14276191 0.90 MAPK14 (0.47) BRAFMAPK14GSK3ASRCSYK
SCHEMBL5681489 0.90 GSK3A (0.52) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL14276144 0.90 MAPK14 (0.51) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL14276140 0.89 GSK3A (0.51) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL14276179 0.89 MAPK14 (0.50) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL14276256 0.88 MAPK14 (0.49) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL14276170 0.88 MAPK14 (0.49) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL5111500 0.86 GSK3A (0.49) MAPK14GSK3ASRCSYKCYP3A4

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-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 US disclosed