SCHEMBL5111631

SCHEMBL5111631

COc1c(NC(=O)c2cc3cccc(Oc4ccncn4)c3n2C)cc(C2(C)CC2)cc1NS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.38
LYN P07948 1/20 0.36
MAPK9 P45984 1/20 0.36
GSK3A P49840 13/20 0.34
SRC P12931 9/20 0.34
SYK P43405 9/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL14276275 0.91 MAPK14 (0.41) MAPK14LYNMAPK9GSK3ASRC
SCHEMBL5685356 0.88 MAPK14 (0.49) MAPK14LYNMAPK9GSK3ASRC
SCHEMBL14276245 0.83 MAPK14 (0.44) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL5514806 0.82 GSK3A (0.39) MAPK14GSK3ASRCSYK
SCHEMBL14276203 0.80 GSK3A (0.37) MAPK14GSK3ASRCSYK
SCHEMBL5682445 0.79 GSK3A (0.50) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL14276204 0.78 GSK3A (0.36) MAPK14LYNMAPK9GSK3ASRC
SCHEMBL14276179 0.77 MAPK14 (0.50) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL14276256 0.77 MAPK14 (0.49) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL14276170 0.77 MAPK14 (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 3 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 claimed
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